SCHEMBL4983802

SCHEMBL4983802

O=c1cc2c(n[nH]1)-c1ccccc1CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.51
PDE3A Q14432 2/20 0.50
PDE4B Q07343 1/20 0.50
CES1 P23141 1/20 0.47
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.44
PDE3B Q13370 1/20 0.43
GAA P10253 2/20 0.42
ALOX12 P18054 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL467920 0.93 CYP2A6 (0.49) GSRPDE3APDE4BCES1ALDH1A1
SCHEMBL5041825 0.86 MAPK8 (0.53) GSRPDE3APDE4BCES1ALDH1A1
SCHEMBL7287593 0.80 PDE3A (0.42) GSRPDE3APDE4BCES1ALDH1A1
SCHEMBL10389468 0.79 GSR (0.44) GSRCES1ALDH1A1LMNANPC1
SCHEMBL2739405 0.79 GSR (0.44) GSRCES1ALDH1A1LMNANPC1
SCHEMBL10341490 0.79 HSP90AA1 (0.49) PDE3APDE4BPDE3BGAAHRH3
SCHEMBL10341517 0.79 HSD17B10 (0.53) PDE3APDE4BALDH1A1LMNANPC1
SCHEMBL9780123 0.78 ALDH1A1 (0.51) PDE3APDE4BALDH1A1LMNANPC1
SCHEMBL10341494 0.75 MEN1 (0.60) ALDH1A1LMNANPC1RAB9AHRH3
SCHEMBL9780139 0.74 HPGD (0.40) GSRPDE3APDE4BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0181145-B1 HETEROCYCLIC COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-31 EP claimed
EP-0181145-A2 Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP claimed
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed
CN-110551105-A substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2019-12-10 CN disclosed
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
EP-2079736-B1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-10-18 EP disclosed
EP-2079736-B1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-10-18 EP disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-20090029985-A1 PYRIDAZINE COMPOUNDS AND METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-29 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
WO-2008083356-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
US-4977152-A For alzheimer*s disease SOCIETE ANONYME: SANOFI (FR) 1990-12-11 US disclosed
EP-0181145-B1 HETEROCYCLIC COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-31 EP disclosed
US-4755511-A Tricyclic pyridazinone compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-07-05 US disclosed
EP-0181145-A2 Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP 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 (4 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-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK GSR 3396/4885PDE3A 1595/4885PDE4B 1781/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK GSR 3396/4885PDE3A 1595/4885PDE4B 1781/4885
US-20090029985-A1 PYRIDAZINE COMPOUNDS AND METHODS PSEN2, PSEN1, APP GSR 828/4885PDE3A 1015/4885PDE4B 625/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 GSR 1629/4885PDE3A 1612/4885PDE4B 2235/4885

“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.