SCHEMBL3437040

SCHEMBL3437040

CN1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
KEAP1 Q14145 1/20 0.52
GLA P06280 1/20 0.46
USP2 O75604 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL1032725 0.93 KEAP1 (0.58) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL13923300 0.90 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL11856358 0.88 KDM4E (0.70) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL40839 0.85 PAOX (0.46) SIGMAR1CYP1A2LMNA
SCHEMBL6143515 0.85 PAOX (0.46) SIGMAR1CYP1A2LMNA
SCHEMBL235080 0.85 KDM4E (0.65) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL12359544 0.85 KEAP1 (0.50) ALDH1A1KDM4ESMN1; SMN2KEAP1USP2
SCHEMBL20225731 0.82 KEAP1 (0.58) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL10913328 0.82 KDM4E (0.70) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL10001929 0.82 CA12 (0.43) ALDH1A1KDM4ESMN1; SMN2KEAP1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
WO-2022255764-A1 NOVEL OXAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF ALLERGIC DISEASE 주식회사 에즈큐리스 2022-12-08 WO disclosed
WO-2021072475-A1 DERIVATIVES OF 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-N-(PYRIDIN-3-YL) PYRIMIDIN-2- AMINE FOR TREATING PROLIFERATIVE DISEASES AND CONDITIONS AUCENTRA THERAPEUTICS PTY LTD (AU) 2021-04-22 WO disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 US disclosed
WO-2020160174-A1 USES OF COMPOUNDS HAVING ANTI-HSV-1 ACTIVITY UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2020-08-06 WO disclosed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 US disclosed
US-10174027-B2 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
WO-2007039581-A1 IMIDAZOLYL-SUBSTITUTED DIAZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039580-A1 IMIDAZOLYL-SUBSTITUTED BENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039578-A1 IMIDAZOLYL-SUBSTITUTED AZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
US-20070066633-A1 Quinazoline compounds ASTRAZENECA AB 2007-03-22 US disclosed
US-20070066633-A1 Quinazoline compounds ASTRAZENECA AB 2007-03-22 US disclosed
US-7160889-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-7160889-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-01-09 US 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 (6 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-10174027-B2 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF ALDH1A1 2706/4885KDM4E 695/4885SMN1; SMN2 989/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 1898/4885KDM4E 2371/4885SMN1; SMN2 3895/4885
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 ALDH1A1 2690/4885KDM4E 1344/4885SMN1; SMN2 4575/4885
US-10766869-B2 Triazoles for the treatment of demyelinating dieases PMP22, MYT1, IDE ALDH1A1 568/4885KDM4E 1313/4885SMN1; SMN2 119/4885
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 ALDH1A1 1464/4885KDM4E 1833/4885SMN1; SMN2 32/4885
US-20070066633-A1 Quinazoline compounds CCR7, CNR1, CBR3 ALDH1A1 3289/4885KDM4E 2943/4885SMN1; SMN2 3578/4885

“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.