SCHEMBL4741341

SCHEMBL4741341

O=C(CCCCCCOc1ccc(-c2cc3c(NCc4ccccc4)ncnc3[nH]2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 1.00
KDR P35968 12/20 1.00
EGFR P00533 8/20 1.00
HDAC3 O15379 11/20 0.70
HDAC4 P56524 11/20 0.70
HDAC1 Q13547 11/20 0.70
HDAC7 Q8WUI4 11/20 0.70
HDAC2 Q92769 11/20 0.70
HDAC10 Q969S8 11/20 0.70
HDAC11 Q96DB2 11/20 0.70
HDAC8 Q9BY41 11/20 0.70
HDAC6 Q9UBN7 11/20 0.70
HDAC9 Q9UKV0 11/20 0.70
HDAC5 Q9UQL6 11/20 0.70
CSF1R P07333 1/20 0.61

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
SCHEMBL14066981 0.94 ERBB2 (0.88) ERBB2KDREGFRHDAC3HDAC4
SCHEMBL14123549 0.93 ERBB2 (0.87) ERBB2KDREGFRHDAC3HDAC4
SCHEMBL14123488 0.91 ERBB2 (0.84) ERBB2KDREGFRHDAC3HDAC4
SCHEMBL4730490 0.90 KDR (0.82) ERBB2KDREGFRHDAC3HDAC4
SCHEMBL14123558 0.88 KDR (0.78) ERBB2KDREGFRHDAC3HDAC4
SCHEMBL14123620 0.88 KDR (0.78) ERBB2KDREGFRHDAC3HDAC4
SCHEMBL4905584 0.87 ERBB2 (0.77) ERBB2KDREGFRHDAC3HDAC4
SCHEMBL4728921 0.86 ERBB2 (0.75) ERBB2KDREGFRHDAC3HDAC4
SCHEMBL4335551 0.86 ERBB2 (0.75) ERBB2KDREGFRHDAC3HDAC4
SCHEMBL14076103 0.85 KDR (0.75) ERBB2KDREGFRHDAC3HDAC4

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-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
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-2008033745-A2 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS 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 (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 ERBB2 2794/4885KDR 2667/4885EGFR 2358/4885
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC1, HDAC2, BAZ2A ERBB2 223/4885KDR 1887/4885EGFR 1171/4885

“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.