SCHEMBL1167171

SCHEMBL1167171

Cc1ccc(C(=O)n2nc(N)nc2Nc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 9/20 0.46
▸ MAPK7 Q13164 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NLRP1 Q9C000 1/20 0.43
▸ SCN5A Q14524 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ ENPP3 O14638 1/20 0.42
▸ ALPL P05186 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ GLA P06280 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40

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
SCHEMBL1168610 0.86 MAPT (0.58) MAPK7KMT2AMAPTALDH1A1GLA
SCHEMBL1167427 0.85 MAPT (0.59) MAPK7KMT2AMAPTALDH1A1TP53
SCHEMBL1167935 0.84 ALDH1A1 (0.50) KMT2AMAPTALDH1A1TP53GLA
SCHEMBL1168134 0.84 MAPT (0.48) KMT2AMAPTALDH1A1
SCHEMBL1167068 0.83 KMT2A (0.52) KMT2ACCNB2CDK1CCNB1CCNB3
SCHEMBL1167609 0.82 AXL (0.47) MAPTALDH1A1TP53
SCHEMBL1166889 0.81 AXL (0.48) MAPTALDH1A1TP53
SCHEMBL1168941 0.78 NPC1 (0.52) P2RX3MAPK7KMT2ACCNB2CDK1
SCHEMBL1167917 0.78 KDM4E (0.46) P2RX3MAPK7CCNB2CDK1CCNB1
SCHEMBL1167711 0.77 CCNB2 (0.56) MAPK7KMT2ACCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — US claimed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 — — US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 — — US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 — — US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — 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-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 P2RX3 3407/4885MAPK7 735/4885KMT2A 2650/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 P2RX3 1370/4885MAPK7 359/4885KMT2A 3149/4885

“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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