SCHEMBL4377410

SCHEMBL4377410

CC(C(=O)O)n1ccnn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.41
ALDH1A1 P00352 1/20 0.39
FOLH1 Q04609 1/20 0.37
KDM4E B2RXH2 1/20 0.33
USP5 P45974 1/20 0.33
PPARG P37231 1/20 0.32
NOTUM Q6P988 1/20 0.32
CYP1A1 P04798 1/20 0.31
CD69 Q07108 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL12503737 0.83 CYP19A1 (0.37) CYP19A1FOLH1NOTUM
SCHEMBL9768670 0.83 CYP19A1 (0.37) CYP19A1FOLH1NOTUM
SCHEMBL16964247 0.79 CYP19A1 (0.38) CYP19A1FOLH1PPARG
SCHEMBL10360818 0.79 CYP19A1 (0.34) CYP19A1ALDH1A1KDM4E
SCHEMBL4057468 0.76 NPSR1 (0.36) CYP19A1ALDH1A1KDM4E
SCHEMBL20514206 0.75 CYP19A1 (0.41) CYP19A1FOLH1PPARGCYP1A1
SCHEMBL15532588 0.75 PPARG (0.40) CYP19A1ALDH1A1FOLH1KDM4EPPARG
SCHEMBL3533905 0.73
SCHEMBL1101978 0.72
SCHEMBL20816252 0.72 GABRP (0.42) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847183-B1 PROCESS FOR THE PREPARATION OF TRIAZOLE COMPOUNDS Bayer Pharma AG (DE) 2017-06-21 EP claimed
WO-2014015137-A2 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES ANGION BIOMEDICA CORP. (US) 2014-01-23 WO claimed
EP-1893582-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-03-05 EP claimed
WO-2006127503-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE IN TREATING METABOLIC DISORDERS AMGEN INC (US) 2006-11-30 WO claimed
CN-116457023-A antibody-TLR agonist conjugates, methods and uses thereof AMBRX公司 2023-07-18 CN disclosed
EP-3645533-A1 TDO2 AND IDO1 INHIBITORS Genentech, Inc. (US) 2020-05-06 EP disclosed
WO-2019005559-A1 TDO2 AND IDO1 INHIBITORS GENENTECH, INC. (US) 2019-01-03 WO disclosed
EP-2847183-B1 PROCESS FOR THE PREPARATION OF TRIAZOLE COMPOUNDS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
EP-2900665-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
WO-2014015137-A2 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES ANGION BIOMEDICA CORP. (US) 2014-01-23 WO disclosed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 EP 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
WO-2002012226-A1 QUINOLINE 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
EP-0158448-B1 AZOLYL PROPANOLS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-29 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 (2 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR CYP19A1 456/4885ALDH1A1 822/4885FOLH1 2784/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 CYP19A1 999/4885ALDH1A1 2513/4885FOLH1 2157/4885

“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.