SCHEMBL6198364

SCHEMBL6198364

Nc1nc(N[C@H]2CCNC2)sc1C(=O)c1c(F)cccc1F

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 10/20 0.68
CDK5R1 Q15078 10/20 0.68
CDK2 P24941 5/20 0.57
CCNA2 P20248 4/20 0.57
CCNT1 O60563 3/20 0.48
CDK4 P11802 3/20 0.48
CCND1 P24385 3/20 0.48
CDK9 P50750 3/20 0.48
CDK6 Q00534 3/20 0.48
CDK11A Q9UQ88 3/20 0.48
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 1/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL6196211 1.00 CDK5 (0.68) CDK5CDK5R1CDK2CCNA2CCNT1
SCHEMBL6196947 0.94 CDK5 (0.77) CDK5CDK5R1CDK2CCNA2CCNT1
SCHEMBL3384293 0.94 CDK5 (0.76) CDK5CDK5R1CDK2CCNA2CCNT1
SCHEMBL6200294 0.91 CDK5 (0.61) CDK5CDK5R1CDK2CCNA2CCNT1
SCHEMBL18033668 0.84 CDK5 (0.60) CDK5CDK5R1CDK2CCNA2CCNT1
SCHEMBL18006691 0.84 CDK5 (0.60) CDK5CDK5R1CDK2CCNA2CCNT1
SCHEMBL18006794 0.84 CDK5 (0.60) CDK5CDK5R1CDK2CCNA2CCNT1
SCHEMBL18006783 0.83 CDK5 (0.58) CDK5CDK5R1CDK2CCNA2CCNT1
SCHEMBL6198739 0.81 CDK5 (0.55) CDK5CDK5R1CDK2CCNA2CCNT1
SCHEMBL6197032 0.81 CDK4 (0.63) CDK5CDK5R1CDK2CCNA2CCNT1

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
EP-1597256-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use PFIZER INC. 2005-05-12 US disclosed
WO-2004074283-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2004-09-02 WO 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-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use CCNI, MKI67, TK1 CDK5 10/4885CDK5R1 125/4885CDK2 6/4885

“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.