SCHEMBL6726554

SCHEMBL6726554

Cc1cc(C)c2cccc(-c3ccc(Cl)cc3Cl)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 1.00
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
NR4A2 P43354 1/20 0.44
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL5246749 0.90 CRHR1 (1.00) CRHR1HSP90AA1HSP90AB1NR4A2MAPT
SCHEMBL5250469 0.86 CRHR1 (0.77) CRHR1KDM4EPOLBHSP90AA1HSP90AB1
SCHEMBL6722252 0.79 CRHR1 (1.00) CRHR1
SCHEMBL7076625 0.79 CRHR1 (0.65) CRHR1NR4A2
SCHEMBL9830968 0.77 NR4A2 (0.69) CRHR1KDM4ETDP1POLBNR4A2
SCHEMBL13312395 0.73 CRHR1 (0.61) CRHR1KDM4ETDP1MAPTL3MBTL1
SCHEMBL5246961 0.73 CRHR1 (0.57) CRHR1KDM4EMAPT
SCHEMBL3364275 0.72 CRHR1 (0.58) CRHR1HSD11B1
SCHEMBL14388998 0.72 CRHR1 (0.57) CRHR1POLBHSP90AA1HSP90AB1HSD11B1
SCHEMBL8966258 0.71 KDM4E (0.69) CRHR1KDM4ETDP1POLBNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040121998-A1 CRF antagonistic quino- and quinazolines NEUROCRINE BIOSCIENCES, INC. 2004-06-24 US disclosed
EP-0977737-B1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
US-6610678-B2 Corticotropin-releasing factor antagonists; treating endocrine, psychiatric or neurologic disorders HUANG CHARLES (US) 2003-08-26 US disclosed
US-20030119818-A1 CRF antagonistic quino-and quinazolines HUANG CHARLES (US) 2003-06-26 US disclosed
US-6482836-B1 CRF antagonistic quino- and quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-19 US disclosed
EP-0977737-A1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2000-02-09 EP disclosed
WO-1998047874-A1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-29 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-20030119818-A1 CRF antagonistic quino-and quinazolines CRHR1, HTR6, CRH CRHR1 1/4885KDM4E 4342/4885TDP1 4023/4885
US-20040121998-A1 CRF antagonistic quino- and quinazolines CRHR1, HTR6, CRH CRHR1 1/4885KDM4E 4342/4885TDP1 4023/4885

“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.