SCHEMBL4903156

SCHEMBL4903156

CC(Nc1ncnc2[nH]c(-c3ccc(CN4CCN(CCC(=O)O)CC4)cc3)cc12)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.86
HDAC3 O15379 10/20 0.81
HDAC4 P56524 10/20 0.81
HDAC1 Q13547 10/20 0.81
HDAC7 Q8WUI4 10/20 0.81
HDAC2 Q92769 10/20 0.81
HDAC10 Q969S8 10/20 0.81
HDAC11 Q96DB2 10/20 0.81
HDAC8 Q9BY41 10/20 0.81
HDAC6 Q9UBN7 10/20 0.81
HDAC9 Q9UKV0 10/20 0.81
HDAC5 Q9UQL6 10/20 0.81
ERBB2 P04626 5/20 0.80
EGFR P00533 9/20 0.78
STK10 O94804 1/20 0.78
MAP4K4 O95819 1/20 0.78
ABL1 P00519 1/20 0.78
YES1 P07947 1/20 0.78
RET P07949 1/20 0.78
PDGFRB P09619 1/20 0.78

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
SCHEMBL4900817 0.95 HDAC3 (0.87) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4903673 0.94 HDAC3 (0.87) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4901442 0.94 HDAC3 (0.87) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4901461 0.94 HDAC3 (0.87) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4893691 0.93 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL14066946 0.93 KDR (0.83) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4893676 0.93 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4901710 0.92 EGFR (0.81) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4342968 0.91 HDAC3 (0.84) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4897881 0.91 EGFR (0.82) KDRHDAC3HDAC4HDAC1HDAC7

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 2667/4885HDAC3 7/4885HDAC4 5/4885
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC1, HDAC2, BAZ2A KDR 1887/4885HDAC3 32/4885HDAC4 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.