SCHEMBL3282939

SCHEMBL3282939

Nc1ccc(-n2c(C(F)(F)F)nc3ccccc32)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
PIK3CB P42338 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 2/20 0.38
NOD1 Q9Y239 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA2A P29274 1/20 0.36
DRD4 P21917 1/20 0.36
GRM2 Q14416 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL3285853 0.80 MAPK1 (0.54) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL12937256 0.74 MAPK1 (0.74) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL17378596 0.72 MAPK1 (0.59) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL16740132 0.72 MAPK1 (0.49) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL18103434 0.71 MAPK1 (0.51) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL10041283 0.70 MAPK1 (0.56) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL2091533 0.69 CRACR2A (0.46) MAPK1CYP2C9CYP2C19LMNACYP3A4
SCHEMBL1663643 0.69 NOS2 (0.55) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL6833890 0.69 MAPK1 (0.45) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL6443356 0.68 ESR2 (0.57) MAPK1PIK3CBKDM4EALDH1A1HPGD

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 7 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 claimed
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-12-09 US claimed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US claimed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 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 (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-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses NLRP3, CXCR1, CXCR2 MAPK1 1121/4885PIK3CB 3842/4885KDM4E 827/4885
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 MAPK1 1620/4885PIK3CB 4073/4885KDM4E 2452/4885
US-20070249661-A1 Compounds for inflammation and immune-related uses CXCR2, CXCL8, CCR9 MAPK1 1620/4885PIK3CB 4073/4885KDM4E 2452/4885

“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.