SCHEMBL10251997

SCHEMBL10251997

Cc1nc2cncnn2c1-c1ccnc(Nc2ccc(C(=O)NOC3CCCCO3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.45
KCNH2 Q12809 2/20 0.42
CDK1 P06493 1/20 0.40
TGFBR1 P36897 2/20 0.38
MYLK4 Q86YV6 1/20 0.38
STK17A Q9UEE5 1/20 0.38
JAK2 O60674 9/20 0.38
JAK3 P52333 8/20 0.38
JAK1 P23458 6/20 0.38
HDAC1 Q13547 3/20 0.38
TYK2 P29597 2/20 0.38
HDAC3 O15379 1/20 0.38
NCOR1 O75376 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BMPR1B O00238 1/20 0.37
PLK4 O00444 1/20 0.37
CIT O14578 1/20 0.37
GAK O14976 1/20 0.37

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
SCHEMBL7980921 0.82 CDK2 (0.43) CDK2KCNH2CDK1TGFBR1JAK2
SCHEMBL7976853 0.81 CDK2 (0.42) CDK2KCNH2CDK1
SCHEMBL10251874 0.81 CAMK2D (0.50) CDK2KCNH2JAK2JAK3JAK1
SCHEMBL7964761 0.81 HDAC1 (0.48) CDK2KCNH2CDK1JAK2JAK3
SCHEMBL7974320 0.81 IGF1R (0.42) CDK2KCNH2CDK1TGFBR1HDAC1
SCHEMBL7995054 0.79 CDK2 (0.43) CDK2KCNH2CDK1JAK2JAK3
SCHEMBL10251999 0.79 ABL1 (0.48) CDK2KCNH2ROCK1CAMK2D
SCHEMBL10252292 0.79 CAMK2D (0.51) CDK2KCNH2MAPK8CDK9MAPK10
SCHEMBL7976431 0.78 CDK2 (0.42) CDK2KCNH2CDK1JAK2JAK3
SCHEMBL10285618 0.77 CDK2 (0.41) CDK2KCNH2CDK1JAK2JAK3

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-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 CDK2 16/4885KCNH2 3897/4885CDK1 13/4885

“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.