SCHEMBL2545739

SCHEMBL2545739

CCn1cc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccncc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 6/20 0.57
▸ CDK1 P06493 6/20 0.57
▸ CCNB1 P14635 6/20 0.57
▸ CDK9 P50750 6/20 0.57
▸ CDK2 P24941 3/20 0.53
▸ IKBKB O14920 10/20 0.52
▸ DKK1 O94907 2/20 0.52
▸ GSK3B P49841 2/20 0.52
▸ MAPK8 P45983 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ CDK7 P50613 2/20 0.50
▸ CCNH P51946 2/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CCNA1 P78396 1/20 0.50
▸ IGF1R P08069 1/20 0.48

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
SCHEMBL2546541 0.92 CCNT1 (0.58) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2542328 0.90 CDK1 (0.59) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2229140 0.85 CCNT1 (0.54) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2540053 0.85 GSK3B (0.50) CDK2GSK3BCCNA2
SCHEMBL2540451 0.85 IKBKB (0.53) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL27809481 0.84 GSK3B (0.49) CDK2GSK3BIGF1R
SCHEMBL2544929 0.83 CCNT1 (0.58) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2545958 0.83 CDK1 (0.61) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL12611335 0.80 CDK1 (0.69) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2543299 0.80 IKBKB (0.53) CCNT1CDK1CCNB1CDK9CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2014-10-09 — — US claimed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — US claimed
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 — — CN claimed
US-20180071287-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE SIGNAL PHARM LLC (US) 2018-03-15 — — US disclosed
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2014-10-09 — — US disclosed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 — — US disclosed
WO-2012126181-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2012-09-27 — — WO disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — US disclosed
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 — — CN 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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 CCNT1 1213/4885CDK1 129/4885CCNB1 1308/4885
US-20180071287-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE CYP11B2, CYP27A1, CYP11B1 CCNT1 4257/4885CDK1 2751/4885CCNB1 1992/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 CCNT1 3334/4885CDK1 465/4885CCNB1 2741/4885

“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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