SCHEMBL4581601

SCHEMBL4581601

Cc1cccc(-c2cncnc2)n1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.67
CCR1 P32246 1/20 0.60
CCR8 P51685 1/20 0.60
METAP2 P50579 1/20 0.47
TGFBR1 P36897 8/20 0.44
ATM Q13315 1/20 0.41
MAPK14 Q16539 1/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
GRM5 P41594 1/20 0.40
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3421988 0.83 CYP2A6 (0.67) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL31678951 0.82 MEN1 (0.50) CYP2A6CCR1CCR8ATMMEN1
SCHEMBL3609216 0.80 CYP2A6 (1.00) CYP2A6CCR1CCR8GRM5KMT2A
SCHEMBL3422361 0.80 CCR1 (0.75) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL13680679 0.79 CCR1 (0.60) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL10001003 0.79 CYP2A6 (0.61) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL13483700 0.78 CCR1 (0.71) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL2666359 0.77 CYP2A6 (0.63) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL196966 0.77 CCR1 (1.00) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL30511194 0.77 CCR1 (1.00) CYP2A6CCR1CCR8METAP2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP claimed
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US disclosed
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
EP-2344486-B1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THEIR USE AS FAAH INHIBITORS SANOFI SA (FR) 2013-03-27 EP disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 US disclosed
WO-2010010288-A2 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-28 WO disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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 (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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB CYP2A6 4760/4885CCR1 331/4885CCR8 982/4885
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MET, ALK, REL CYP2A6 426/4885CCR1 297/4885CCR8 614/4885

“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.