SCHEMBL4106347

SCHEMBL4106347

Cc1cc(-c2ccc(S(N)(=O)=O)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2nc[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 17/20 0.58
▸ CDK1 P06493 7/20 0.56
▸ CCNB1 P14635 6/20 0.56
▸ CDK9 P50750 5/20 0.54
▸ CCNT1 O60563 4/20 0.54
▸ CDK7 P50613 4/20 0.54
▸ CCNH P51946 3/20 0.54
▸ CCNA2 P20248 3/20 0.53
▸ CCNE1 P24864 2/20 0.53
▸ CCNB2 O95067 2/20 0.53
▸ CCNA1 P78396 2/20 0.53
▸ CCNB3 Q8WWL7 2/20 0.53
▸ ROCK2 O75116 1/20 0.53
▸ CDK4 P11802 1/20 0.53
▸ CCND1 P24385 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ MNAT1 P51948 1/20 0.53
▸ CDK5 Q00535 1/20 0.53
▸ DYRK1A Q13627 1/20 0.53
▸ CDK5R1 Q15078 1/20 0.53

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
SCHEMBL4110978 0.87 CYP2C9 (0.57) CDK2CDK1CCNB1CDK9CCNT1
SCHEMBL4098291 0.86 CYP2C19 (0.51) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL13561275 0.84 CDK1 (0.55) CDK2CDK1CCNB1CDK9CCNT1
SCHEMBL4119336 0.83 CYP2C9 (0.52) CDK2CDK1CCNB1CDK9CCNT1
SCHEMBL13561268 0.82 CYP2C9 (0.55) CDK2CDK1CCNB1CDK9CCNT1
SCHEMBL4106873 0.81 CYP2C19 (0.47) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL4105100 0.80 CYP2C9 (0.51) CDK2CDK1CCNB1CDK9CCNT1
SCHEMBL4113585 0.80 CYP2C9 (0.52) CDK2CCNA2CCNA1CYP2C9CYP2C19
SCHEMBL13561277 0.79 CYP2C9 (0.50) CDK2CDK1CCNB1CDK9CCNT1
SCHEMBL4105261 0.79 CYP2C9 (0.47) CDK2CDK1CCNB1CCNA2CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
EP-2220091-B1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2012-07-25 — — EP disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — 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 (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-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP CDK2 212/4885CDK1 572/4885CCNB1 1393/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP CDK2 212/4885CDK1 572/4885CCNB1 1393/4885

“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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