SCHEMBL933103

SCHEMBL933103

CN(C)CCCOc1cc[c]cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
LSS P48449 1/20 0.40
HTR1B P28222 1/20 0.38
HTR7 P34969 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
TOP2A P11388 1/20 0.37
HRH1 P35367 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL934686 0.91 HTR7 (0.46) HRH3HTR1BHTR7
SCHEMBL128641 0.80 CYP2D6 (0.42) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL2220469 0.79 CYP3A4 (0.39) KDM4EALDH1A1CYP2D6CYP3A4
SCHEMBL130932 0.78 GABRP (0.34) KDM4EALDH1A1SMN1; SMN2CYP2D6CYP3A4
SCHEMBL6352955 0.78
SCHEMBL6706172 0.78 SIGMAR1 (0.41) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10388381 0.77 CYP3A4 (0.41) KDM4EALDH1A1CYP2D6CYP3A4
SCHEMBL2067241 0.77 TSHR (0.35)
SCHEMBL2067093 0.77 CHEK1 (0.32)
SCHEMBL9621334 0.74 TAAR1 (0.38) KDM4EHTR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US disclosed
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 US disclosed
EP-3072890-B1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI PHARMA INC (US) 2018-10-17 EP disclosed
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-8486939-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-07-16 US disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 KDM4E 3125/4885ALDH1A1 2902/4885SMN1; SMN2 3749/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 KDM4E 649/4885ALDH1A1 2743/4885SMN1; SMN2 3900/4885
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 KDM4E 763/4885ALDH1A1 1548/4885SMN1; SMN2 3838/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 KDM4E 763/4885ALDH1A1 1548/4885SMN1; SMN2 3838/4885
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD KDM4E 2414/4885ALDH1A1 1721/4885SMN1; SMN2 2079/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 KDM4E 732/4885ALDH1A1 2942/4885SMN1; SMN2 3897/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 KDM4E 1116/4885ALDH1A1 3119/4885SMN1; SMN2 3908/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 KDM4E 1116/4885ALDH1A1 3119/4885SMN1; SMN2 3908/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 KDM4E 2374/4885ALDH1A1 802/4885SMN1; SMN2 2234/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.