SCHEMBL6850852

SCHEMBL6850852

Cc1nc(Cl)c2ccn(-c3ccc(Cl)cc3Cl)c2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 8/20 0.39
GABRB2 P47870 8/20 0.39
CRHR1 P34998 3/20 0.37
HSD11B1 P28845 1/20 0.36
G6PD P11413 1/20 0.36
OPRL1 P41146 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
HCAR1 Q9BXC0 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
SCHEMBL21984170 0.74 NOTUM (0.40) HTTSMN1; SMN2
SCHEMBL19033043 0.70 HSD11B1 (0.36) HSD11B1
SCHEMBL29683835 0.70 HSD11B1 (0.36) HSD11B1
SCHEMBL27564981 0.67 GABRA2 (0.48) GABRA2GABRB2CRHR1HSD11B1OPRL1
SCHEMBL4843924 0.66 BIRC5 (0.42) HTT
SCHEMBL2193222 0.66 CRHR1 (0.49) CRHR1HTTSMN1; SMN2LMNA
SCHEMBL28215980 0.65 NOTUM (0.43) GABRA2GABRB2HSD11B1SMN1; SMN2LMNA
SCHEMBL4417128 0.64 KDM4E (0.49) HTTSMN1; SMN2LMNA
SCHEMBL18641199 0.64 PIP4K2A (0.37) CRHR1OPRL1
SCHEMBL3282113 0.63 CRHR1 (0.45) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157851-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-08-12 US disclosed
US-20040087589-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-05-06 US disclosed
US-6531475-B1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-03-11 US disclosed
US-6514982-B1 Corticotropin releasing factor is believed to be the major physiological regulator of the basal and stress-release of adrenocorticotropic hormone, beta -endorphin, and other pro-opiomelanocortin-derived peptides from the pituitary NEUROCRINE BIOSCIENCES, INC. 2003-02-04 US disclosed
EP-1129091-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2002-10-02 EP 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-20040157851-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R GABRA2 147/4885GABRB2 171/4885CRHR1 1/4885
US-20040087589-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R GABRA2 147/4885GABRB2 171/4885CRHR1 1/4885

“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.