SCHEMBL700975

SCHEMBL700975

Cc1cnc(Nc2cccc(C(=O)NO)c2)nc1-c1cnc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.50
IGF1R P08069 8/20 0.50
HDAC6 Q9UBN7 6/20 0.46
HDAC3 O15379 5/20 0.46
HDAC1 Q13547 5/20 0.46
CDK7 P50613 4/20 0.46
CDK9 P50750 4/20 0.46
BTK Q06187 2/20 0.45
RPS6KB1 P23443 1/20 0.45
FLT3 P36888 1/20 0.45
JAK3 P52333 1/20 0.45
KCNH2 Q12809 5/20 0.44
CDK1 P06493 1/20 0.44
CDK8 P49336 1/20 0.44
HDAC2 Q92769 2/20 0.43
EGFR P00533 1/20 0.43
PKM P14618 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL699813 0.89 CDK2 (0.50) CDK2IGF1RHDAC6HDAC3HDAC1
SCHEMBL700599 0.87 HDAC1 (0.50) CDK2IGF1RHDAC6HDAC3HDAC1
SCHEMBL700138 0.86 CDK2 (0.48) CDK2IGF1RHDAC6HDAC3HDAC1
SCHEMBL699041 0.83 CDK2 (0.68) CDK2IGF1RHDAC1CDK1PKM
SCHEMBL13984937 0.79 PKM (0.47) HDAC6HDAC1PKMIRAK4
SCHEMBL699910 0.78 CDK2 (0.52) CDK2IGF1RHDAC6HDAC3HDAC1
SCHEMBL3680281 0.77 PKM (0.70) PKMIRAK4
SCHEMBL700616 0.76 HDAC1 (0.56) CDK2IGF1RHDAC6HDAC3HDAC1
SCHEMBL13984938 0.76 KDR (0.51) CDK2HDAC6HDAC3HDAC1FLT3
SCHEMBL700828 0.75 CDK2 (0.49) CDK2HDAC6HDAC3HDAC1RPS6KB1

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 claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed

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 16/4885IGF1R 1719/4885HDAC6 25/4885

“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.