SCHEMBL665736

SCHEMBL665736

CC1CCN(CC#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
KCNA3 P22001 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL19708746 0.92 ACHE (0.42) ACHECARM1PRMT6PRMT1PRMT8
SCHEMBL24952255 0.86
SCHEMBL12716597 0.86
SCHEMBL14641271 0.86
SCHEMBL15014516 0.82 CARM1 (0.35) ACHECARM1PRMT6PRMT1PRMT8
SCHEMBL2332619 0.78 MAOB (0.33) ALDH1A1POLB
SCHEMBL597477 0.77 MAOB (0.36) HRH3ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL4258249 0.77 ALDH1A1 (0.62) ACHECARM1PRMT6PRMT1PRMT8
SCHEMBL665735 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22691891 0.76 MAOB (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-11021470-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof ARAXES PHARMA LLC (US) 2021-06-01 US disclosed
US-20200181123-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2020-06-11 US disclosed
US-10414757-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof ARAXES PHARMA LLC (US) 2019-09-17 US disclosed
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-04-02 US disclosed
EP-2934142-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934135-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity ASTRAZENECA AB (SE) 2003-10-23 US disclosed
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP disclosed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 EP disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 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 (8 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 ACHE 4103/4885CARM1 35/4885PRMT6 203/4885
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS ACHE 3719/4885CARM1 1554/4885PRMT6 1391/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 ACHE 4280/4885CARM1 2014/4885PRMT6 2158/4885
US-10414757-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof KRAS, NRAS, HRAS ACHE 3447/4885CARM1 923/4885PRMT6 982/4885
US-20200181123-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ACHE 3455/4885CARM1 916/4885PRMT6 991/4885
US-11021470-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof KRAS, NRAS, HRAS ACHE 3455/4885CARM1 916/4885PRMT6 991/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 ACHE 4830/4885CARM1 1101/4885PRMT6 1551/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ACHE 3447/4885CARM1 923/4885PRMT6 982/4885

“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.