SCHEMBL4901968

SCHEMBL4901968

C[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCC(=O)NO)cc3)cc12)c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.83
EGFR P00533 9/20 0.80
ERBB2 P04626 8/20 0.80
HDAC3 O15379 8/20 0.73
HDAC4 P56524 8/20 0.73
HDAC1 Q13547 8/20 0.73
HDAC7 Q8WUI4 8/20 0.73
HDAC2 Q92769 8/20 0.73
HDAC10 Q969S8 8/20 0.73
HDAC11 Q96DB2 8/20 0.73
HDAC8 Q9BY41 8/20 0.73
HDAC6 Q9UBN7 8/20 0.73
HDAC9 Q9UKV0 8/20 0.73
HDAC5 Q9UQL6 8/20 0.73

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
SCHEMBL4901988 1.00 KDR (0.83) KDREGFRERBB2HDAC3HDAC4
SCHEMBL14066967 0.91 ERBB2 (0.89) KDREGFRERBB2HDAC3HDAC4
SCHEMBL4897790 0.91 EGFR (0.74) KDREGFRERBB2HDAC3HDAC4
SCHEMBL4899821 0.91 KDR (1.00) KDREGFRERBB2HDAC3HDAC4
SCHEMBL4899829 0.91 KDR (1.00) KDREGFRERBB2HDAC3HDAC4
SCHEMBL8205456 0.89 KDR (1.00) KDREGFRERBB2HDAC3HDAC4
SCHEMBL14117686 0.85 EGFR (0.76) KDREGFRERBB2HDAC3HDAC4
SCHEMBL8208811 0.84 KDR (1.00) KDREGFRERBB2HDAC3HDAC4
SCHEMBL27218236 0.84 KDR (1.00) KDREGFRERBB2HDAC3HDAC4
SCHEMBL4897877 0.84 EGFR (0.85) KDREGFRERBB2HDAC3HDAC4

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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 KDR 2667/4885EGFR 2358/4885ERBB2 2794/4885
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC1, HDAC2, BAZ2A KDR 1887/4885EGFR 1171/4885ERBB2 223/4885

“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.