SCHEMBL2282885

SCHEMBL2282885

COCCNc1ncc(-c2ccnc(Nc3cccc(Cl)c3)n2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.52
KDR P35968 1/20 0.52
CDK2 P24941 6/20 0.52
CDK4 P11802 2/20 0.52
CCNT1 O60563 3/20 0.51
CCNA2 P20248 3/20 0.51
CDK9 P50750 3/20 0.51
CCNB1 P14635 2/20 0.51
CDK7 P50613 2/20 0.51
CCNH P51946 2/20 0.51
CCNA1 P78396 1/20 0.51
CAMK2D Q13557 3/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
MAPT P10636 2/20 0.48
CSNK2A1 P68400 2/20 0.48
NPC1 O15118 1/20 0.47
XBP1 P17861 1/20 0.47

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
SCHEMBL2288709 0.89 CDK2 (0.52) CDK1KDRCDK2CDK4CCNT1
SCHEMBL2281181 0.89 PIK3CG (0.58) CDK1KDRCDK2CDK4CCNT1
SCHEMBL2282220 0.88 KCNH3 (0.52) CDK1CDK2CDK4CCNT1CCNA2
SCHEMBL2288652 0.86 CDK2 (0.51) CDK1KDRCDK2CDK4CCNT1
SCHEMBL2288202 0.85 CCNT1 (0.50) CDK1CDK2CCNT1CCNA2CDK9
SCHEMBL2290262 0.82 CDK2 (0.57) CDK1KDRCDK2CDK4CCNT1
SCHEMBL2290183 0.80 CDK2 (0.55) CDK1CDK2CDK4CCNT1CCNA2
SCHEMBL2283687 0.79 CAMK2D (0.57) CDK1CDK2CDK4CCNT1CCNA2
SCHEMBL2287037 0.79 CDK2 (0.68) CDK1CDK2CDK4CCNT1CCNA2
SCHEMBL2287308 0.79 CDK2 (0.58) CDK1CDK2CDK4CCNT1CCNA2

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 3 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
CN-101309586-A Thiazole compounds as fungicides BAYER CROPSCIENCE AG (DE) 2008-11-19 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 (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 CDK1 793/4885KDR 3915/4885CDK2 2065/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK1 857/4885KDR 3925/4885CDK2 2144/4885

“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.