SCHEMBL913981

SCHEMBL913981

Nc1ccc(Nc2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 2/20 0.54
HTT P42858 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
BCL6 P41182 3/20 0.50
ROCK1 Q13464 1/20 0.50
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALPG P10696 1/20 0.47

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
SCHEMBL30639142 0.90 RAD52 (0.45) HCAR3MAPTALDH1A1CYP1A2HTT
SCHEMBL6120458 0.88 RAD52 (0.48) HCAR3MAPTALDH1A1CYP1A2HTT
SCHEMBL29527700 0.88 RAD52 (0.48) HCAR3MAPTALDH1A1CYP1A2HTT
SCHEMBL4667858 0.83 KDM4E (0.53) MAPTMEN1KMT2ALMNATDP1
SCHEMBL20796132 0.83 FTO (0.46) HCAR3MAPTALDH1A1MEN1KMT2A
SCHEMBL30202244 0.83 FTO (0.46) HCAR3MAPTALDH1A1MEN1KMT2A
SCHEMBL23999755 0.82 RAD52 (0.59) HCAR3MAPTALDH1A1HTTMEN1
SCHEMBL912815 0.81 KMT2A (0.55) MAPTALOX12MEN1KMT2ALMNA
SCHEMBL6449812 0.79 MEN1 (0.59) MAPTALDH1A1HTTL3MBTL1MEN1
SCHEMBL912723 0.78 KMT2A (0.53) HTTALOX12L3MBTL1MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2011-01-06 US disclosed
EP-2265574-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
WO-2009111280-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US disclosed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed
EP-0257399-B1 HAIR DYEING COMPOSITION Beratungslabor für die kosmetische und pharmazeutische Industrie Dipl.-Ing. Karlheinz Schrader (DE) 1991-01-02 EP disclosed
EP-0257399-A2 Hair dyeing composition Beratungslabor für die kosmetische und pharmazeutische Industrie Dipl.-Ing. Karlheinz Schrader (DE) 1988-03-02 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 (3 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 HCAR3 261/4885MAPT 3475/4885ALDH1A1 1978/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 HCAR3 261/4885MAPT 3475/4885ALDH1A1 1978/4885
US-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER BRAF, RAF1, ARAF HCAR3 2814/4885MAPT 4810/4885ALDH1A1 1247/4885

“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.