SCHEMBL10188076

SCHEMBL10188076

C=C(Nc1ccc(-n2c(C(F)(F)F)nc3ccccc32)cc1)Nc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MCHR1 Q99705 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GSK3B P49841 1/20 0.37
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
CACNG2 Q9Y698 1/20 0.37
PIK3CB P42338 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
KDR P35968 2/20 0.34
PDGFRB P09619 1/20 0.34

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
SCHEMBL2093570 0.88 KDR (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL14367066 0.88 MEN1 (0.41) MAPK1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2093588 0.81 LMNA (0.43) MAPK1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2096523 0.79 NPC1 (0.50) MAPK1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2093500 0.76 ALDH1A1 (0.40) MAPK1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL27717094 0.74 MAPK1 (0.44) MAPK1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL27717099 0.74 MEN1 (0.53) MAPK1ALDH1A1LMNAMAPTTP53
SCHEMBL27717168 0.73 MAPK1 (0.42) MAPK1ALDH1A1CYP2C9MCHR1MAPT
SCHEMBL2094721 0.71 MAPK1 (0.41) MAPK1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10187707 0.71 MEN1 (0.44) MAPK1ALDH1A1LMNAMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-12-09 US disclosed
US-7709518-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-05-04 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

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 MAPK1 1121/4885ALDH1A1 2568/4885CYP3A4 348/4885
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 MAPK1 1620/4885ALDH1A1 1952/4885CYP3A4 1068/4885
US-20070249661-A1 Compounds for inflammation and immune-related uses CXCR2, CXCL8, CCR9 MAPK1 1620/4885ALDH1A1 1952/4885CYP3A4 1068/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 MAPK1 1620/4885ALDH1A1 1952/4885CYP3A4 1068/4885

“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.