SCHEMBL2094852

SCHEMBL2094852

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.46
PLAU P00749 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45
ITK Q08881 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
MAPT P10636 3/20 0.44
RXFP1 Q9HBX9 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL2093545 0.91 PLAU (0.48) PLAULMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2096110 0.90 ABCG2 (0.54) PLAUHPGDALDH1A1USP2ABCG2
SCHEMBL2095612 0.89 RAB9A (0.53) PLAUHPGDLMNAALDH1A1USP2
SCHEMBL13324347 0.89 RAB9A (0.47) PLAUHPGDALDH1A1USP2ABCG2
SCHEMBL2091698 0.88 ABCG2 (0.46) PLAUHPGDALDH1A1USP2ABCG2
SCHEMBL2092576 0.88 TRPV1 (0.48) PLAUHPGDLMNAALDH1A1USP2
SCHEMBL2096504 0.88 ORAI1 (0.48) PLAULMNAALDH1A1ABCG2MAPT
SCHEMBL2094235 0.88 HDAC4 (0.44) LMNAALDH1A1NPSR1L3MBTL1USP2
SCHEMBL2094162 0.88 RAB9A (0.52) PLAULMNAABCG2MAPTMEN1
SCHEMBL2092909 0.87 SMN1; SMN2 (0.53) HPGDLMNAALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US claimed
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-12-09 US claimed
US-7709518-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-05-04 US claimed
EP-1809294-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-08-06 EP claimed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US claimed
EP-1809294-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-07-25 EP claimed
WO-2006034402-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICAL CORP. (US) 2006-03-30 WO claimed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 WO disclosed
EP-1809294-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-07-25 EP disclosed
WO-2006034402-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICAL CORP. (US) 2006-03-30 WO 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-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses NLRP3, CXCR1, CXCR2 MLYCD 4593/4885PLAU 1996/4885HPGD 1477/4885
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 MLYCD 3284/4885PLAU 1802/4885HPGD 1064/4885
US-20070249661-A1 Compounds for inflammation and immune-related uses CXCR2, CXCL8, CCR9 MLYCD 3284/4885PLAU 1802/4885HPGD 1064/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 MLYCD 3284/4885PLAU 1802/4885HPGD 1064/4885

“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.