SCHEMBL10063192

SCHEMBL10063192

CCc1cccc(NC(=O)c2cc(-c3ccncc3)c[nH]c2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.58
▸ ITK Q08881 7/20 0.56
▸ MAPT P10636 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ KDR P35968 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TTK P33981 3/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ INCENP Q9NQS7 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ GPR142 Q7Z601 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ KIT P10721 1/20 0.44
▸ SRC P12931 1/20 0.44

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
SCHEMBL10063146 0.88 ALK (0.55) ALKITKKDRTTKAURKB
SCHEMBL10063111 0.88 ALK (0.70) ALKITKTTKAURKBINCENP
SCHEMBL10063193 0.85 ITK (0.62) ALKITKMAPTSMN1; SMN2TTK
SCHEMBL15850171 0.84 ITK (0.67) ALKITKMAPTLMNATHRB
SCHEMBL10063153 0.83 ITK (0.57) ALKITKKDRTTKAURKB
SCHEMBL10063134 0.83 TTK (0.64) ALKITKMAPTTP53SMN1; SMN2
SCHEMBL10063123 0.83 ITK (0.55) ALKITKTTKAURKBINCENP
SCHEMBL10063127 0.82 ITK (0.54) ALKITKTTKAURKBINCENP
SCHEMBL11888256 0.82 ITK (0.54) ALKITKTTKAURKBINCENP
SCHEMBL10063137 0.80 ITK (0.58) ALKITKTTKAURKBINCENP

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
EP-1831168-B1 PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY PROTEIN KINASES FOR THE TREATMENT OF INFLAMMATORY, PROLIFERATIVE AND IMMUNOLOGICALLY-MEDIATED DISEASES. VERTEX PHARMA (US) 2014-07-02 — — EP disclosed
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 — — US disclosed
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 — — US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 — — US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 — — US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 — — US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 — — 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-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ALK 581/4885ITK 393/4885MAPT 1299/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ALK 581/4885ITK 393/4885MAPT 1299/4885

“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.

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