SCHEMBL4903286

SCHEMBL4903286

C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CN4CCN(CCCCCCC(=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 14/20 1.00
HDAC3 O15379 11/20 1.00
HDAC4 P56524 11/20 1.00
HDAC1 Q13547 11/20 1.00
HDAC7 Q8WUI4 11/20 1.00
HDAC2 Q92769 11/20 1.00
HDAC10 Q969S8 11/20 1.00
HDAC11 Q96DB2 11/20 1.00
HDAC8 Q9BY41 11/20 1.00
HDAC6 Q9UBN7 11/20 1.00
HDAC9 Q9UKV0 11/20 1.00
HDAC5 Q9UQL6 11/20 1.00
ERBB2 P04626 11/20 1.00
EGFR P00533 4/20 0.76
STK10 O94804 1/20 0.70
MAP4K4 O95819 1/20 0.70
ABL1 P00519 1/20 0.70
YES1 P07947 1/20 0.70
RET P07949 1/20 0.70
PDGFRB P09619 1/20 0.70

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
SCHEMBL4903294 1.00 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4902691 1.00 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4902670 1.00 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4903568 0.99 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4903554 0.99 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4897639 0.97 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4897651 0.97 KDR (1.00) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8212633 0.94 HDAC3 (0.99) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4903781 0.94 HDAC3 (0.99) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4741287 0.94 HDAC3 (0.99) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156825-A1 USE OF SELECTIVE VEGFR2 AND FGFR1 INHIBITORS FOUNTAIN THERAPEUTICS INC (US) 2024-05-16 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 US disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 US disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 US disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033745-A2 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO 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 (3 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-20240156825-A1 USE OF SELECTIVE VEGFR2 AND FGFR1 INHIBITORS FGFR1, FRS2, FGFR2 KDR 5/4885HDAC3 1816/4885HDAC4 1801/4885
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.