SCHEMBL7036754

SCHEMBL7036754

CCCCCCCn1c(CC)nc2c(-c3ccc(C)cc3Cl)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.42
CRHR1 P34998 2/20 0.42
TLR8 Q9NR97 2/20 0.37
HSP90AA1 P07900 5/20 0.37
HSP90AB1 P08238 5/20 0.37

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
SCHEMBL7036738 0.99 ERBB2 (0.43) ERBB2CRHR1TLR8HSP90AA1HSP90AB1
SCHEMBL7032248 0.91 HSP90B1 (0.44) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7028964 0.91 HSP90B1 (0.44) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7032141 0.89 HSP90B1 (0.45) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7032761 0.88 TLR8 (0.42) ERBB2TLR8HSP90AA1HSP90AB1
SCHEMBL7029124 0.87 ERBB2 (0.55) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7033056 0.87 ERBB2 (0.55) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7035445 0.86 ERBB2 (0.40) ERBB2HSP90AA1HSP90AB1
SCHEMBL7029061 0.86 ERBB2 (0.40) ERBB2HSP90AA1HSP90AB1
SCHEMBL7031052 0.86 ERBB2 (0.56) ERBB2CRHR1HSP90AA1HSP90AB1

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 2186/4885CRHR1 2/4885TLR8 1809/4885

“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.