SCHEMBL6764413

SCHEMBL6764413

Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5nnc(C(F)(F)F)o5)cc34)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.57
ERBB2 P04626 12/20 0.57
HDAC3 O15379 2/20 0.50
ABL1 P00519 2/20 0.50
INSR P06213 2/20 0.50
PDGFRB P09619 2/20 0.50
CDK2 P24941 2/20 0.50
PLK1 P53350 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50

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
Hydrochloric Acid SCHEMBL6764193 0.99 EGFR (0.57) EGFRERBB2HDAC3ABL1INSR
SCHEMBL6768366 0.91 EGFR (0.61) EGFRERBB2PDGFRB
SCHEMBL6766849 0.91 EGFR (0.50) EGFRERBB2PDGFRB
Hydrochloric Acid SCHEMBL6768794 0.90 EGFR (0.49) EGFRERBB2PDGFRB
SCHEMBL6768865 0.86 ERBB2 (0.46) EGFRERBB2PDGFRB
Hydrochloric Acid SCHEMBL6764013 0.85 EGFR (0.46) EGFRERBB2PDGFRB
SCHEMBL6763982 0.80 ERBB2 (0.55) EGFRERBB2
SCHEMBL3322183 0.80 EGFR (0.72) EGFRERBB2HDAC3ABL1INSR
SCHEMBL6767609 0.78 EGFR (0.53) EGFRERBB2PDGFRB
SCHEMBL3004266 0.78 EGFR (0.70) EGFRERBB2HDAC3ABL1INSR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US claimed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP claimed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO claimed
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 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 (1 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK EGFR 354/4885ERBB2 35/4885HDAC3 1046/4885

“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.