SCHEMBL7033254

SCHEMBL7033254

CCCCCCn1c(CC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.44
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 3/20 0.39
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
CRHR1 P34998 1/20 0.35

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
SCHEMBL7036139 0.99 ERBB2 (0.44) ERBB2HSP90AA1HSP90AB1ABL1BCR
SCHEMBL7033056 0.89 ERBB2 (0.55) ERBB2HSP90AA1HSP90AB1CRHR1
SCHEMBL7029124 0.89 ERBB2 (0.55) ERBB2HSP90AA1HSP90AB1CRHR1
SCHEMBL6079128 0.88 ERBB2 (0.44) ERBB2HSP90AA1HSP90AB1CRHR1
SCHEMBL7031052 0.88 ERBB2 (0.56) ERBB2HSP90AA1HSP90AB1CRHR1
SCHEMBL7029061 0.86 ERBB2 (0.40) ERBB2HSP90AA1HSP90AB1
SCHEMBL7035445 0.86 ERBB2 (0.40) ERBB2HSP90AA1HSP90AB1
SCHEMBL7027867 0.85 ERBB2 (0.40) ERBB2HSP90AA1HSP90AB1
SCHEMBL7032248 0.85 HSP90B1 (0.44) ERBB2HSP90AA1HSP90AB1CRHR1
SCHEMBL7028964 0.85 HSP90B1 (0.44) ERBB2HSP90AA1HSP90AB1CRHR1

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-6642230-B2 Administering novel compounds which bind to corticotropin releasing factor receptors, thereby altering anxiogenic effects of CRF secretion BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
US-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders WILDE RICHARD GERALD (US) 2003-06-19 US disclosed
US-6362180-B1 ANTAGONIST TO CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-26 US disclosed
US-6143743-A TREATMENT OF NERVOUS SYSTEM DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-07 US disclosed
EP-0994877-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001454-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 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 (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-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders CRH, CRHR1, CRHR2 ERBB2 2186/4885HSP90AA1 338/4885HSP90AB1 524/4885

“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.