SCHEMBL4897651

SCHEMBL4897651

CC(Nc1ncnc2[nH]c(-c3ccc(CN4CCN(CCCC(=O)NO)CC4)cc3)cc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 1.00
HDAC3 O15379 14/20 1.00
HDAC4 P56524 14/20 1.00
HDAC1 Q13547 14/20 1.00
HDAC7 Q8WUI4 14/20 1.00
HDAC2 Q92769 14/20 1.00
HDAC10 Q969S8 14/20 1.00
HDAC11 Q96DB2 14/20 1.00
HDAC8 Q9BY41 14/20 1.00
HDAC6 Q9UBN7 14/20 1.00
HDAC9 Q9UKV0 14/20 1.00
HDAC5 Q9UQL6 14/20 1.00
ERBB2 P04626 12/20 0.95
EGFR P00533 4/20 0.72
STK10 O94804 1/20 0.72
MAP4K4 O95819 1/20 0.72
ABL1 P00519 1/20 0.72
YES1 P07947 1/20 0.72
RET P07949 1/20 0.72
PDGFRB P09619 1/20 0.72

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
SCHEMBL4897639 1.00 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4903568 0.98 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4903554 0.98 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4903294 0.97 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4902691 0.97 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4903286 0.97 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4902670 0.97 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4893676 0.95 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4893691 0.95 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4739333 0.94 HDAC3 (0.96) 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.