SCHEMBL2283633

SCHEMBL2283633

Cc1nc(NC2CC2)sc1-c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.70
CDK4 P11802 14/20 0.70
CCND1 P24385 6/20 0.61
CCNT1 O60563 8/20 0.54
CCNA2 P20248 8/20 0.54
CDK9 P50750 8/20 0.54
CDK7 P50613 7/20 0.54
CCNH P51946 7/20 0.54
CDK1 P06493 6/20 0.54
CCNB1 P14635 6/20 0.54
CCNA1 P78396 3/20 0.54
CCND3 P30281 5/20 0.51
CDK6 Q00534 5/20 0.51
EIF2AK2 P19525 1/20 0.50

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
SCHEMBL2283314 0.88 CDK2 (0.76) CDK2CDK4CCND1CCNT1CCNA2
SCHEMBL6157845 0.86 CDK2 (0.78) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL2288538 0.86 CDK4 (0.59) CDK2CDK4CCND1CCNT1CCNA2
SCHEMBL2286448 0.85 CDK2 (0.59) CDK2CDK4CCND1CCNT1CCNA2
SCHEMBL2282084 0.84 CDK4 (0.58) CDK2CDK4CCND1CCNT1CCNA2
SCHEMBL2286379 0.84 CDK2 (0.78) CDK2CDK4CCND1CCNT1CCNA2
SCHEMBL4799527 0.84 CDK2 (0.73) CDK2CDK4CCNT1CCNA2CDK9
SCHEMBL6159474 0.83 CDK2 (1.00) CDK2CDK4CDK9CDK7CDK1
SCHEMBL4800928 0.81 CDK2 (0.79) CDK2CDK4CCND1CCNT1CCNA2
SCHEMBL2075902 0.80 CDK2 (0.68) CDK2CDK4CCNT1CCNA2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX CDK2 2065/4885CDK4 776/4885CCND1 838/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885CCND1 861/4885

“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.