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SCHEMBL4335191

SCHEMBL4335191

COc1ccc(C(=O)c2sc(Nc3ccc(N4CCC(N5CCCC5)CC4)cc3)nc2N)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB8B A6NNZ2 1/20 0.54
▸ TUBB4A P04350 1/20 0.54
▸ TUBB P07437 1/20 0.54
▸ TUBB4B P68371 1/20 0.54
▸ TUBB3 Q13509 1/20 0.54
▸ TUBB2A Q13885 1/20 0.54
▸ TUBB8 Q3ZCM7 1/20 0.54
▸ TUBB6 Q9BUF5 1/20 0.54
▸ TUBB2B Q9BVA1 1/20 0.54
▸ TUBB1 Q9H4B7 1/20 0.54
▸ SPHK2 Q9NRA0 1/20 0.54
▸ SPHK1 Q9NYA1 1/20 0.54
▸ CDK4 P11802 6/20 0.52
▸ CCND1 P24385 6/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ CDK11A Q9UQ88 5/20 0.49
▸ CCNT1 O60563 4/20 0.49
▸ CDK9 P50750 4/20 0.49
▸ CDK6 Q00534 4/20 0.49

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
SCHEMBL4333404 0.99 TUBB8B (0.53) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL4338489 0.95 TUBB8B (0.52) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL4339070 0.90 TUBB8B (0.54) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL4338382 0.89 CDK4 (0.51) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4338836 0.88 CDK4 (0.51) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL14508118 0.88 TUBB8B (0.57) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL4340278 0.87 TUBB8B (0.56) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL4335279 0.85 CCNA2 (0.61) CDK4CCND1MEN1KMT2ACDK11A
SCHEMBL4336018 0.84 CCNA2 (0.61) CDK4CCND1MEN1KMT2ACDK11A
SCHEMBL4335158 0.84 CCNA2 (0.66) CDK4CCND1CDK11ACCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 — — EP claimed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US claimed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 — — EP claimed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 — — WO claimed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 — — US claimed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 — — EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 — — EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 — — WO disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 — — 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 (1 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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 TUBB8B 964/4885TUBB4A 364/4885TUBB 443/4885

“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.