SCHEMBL6850979

SCHEMBL6850979

CCCCCCCNc1nc(C)nc2c1c(Br)cn2-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.50
ABL1 P00519 1/20 0.39
CNR2 P34972 7/20 0.39
CNR1 P21554 5/20 0.39
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38

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
SCHEMBL6850975 0.81 CRHR1 (0.48) CRHR1GABRA2GABRB2
SCHEMBL7645267 0.70 CRHR1 (0.56) CRHR1
SCHEMBL6850838 0.69 CRHR1 (0.43) CRHR1GABRA2GABRB2
SCHEMBL6430139 0.63 CRHR1 (0.64) CRHR1CNR1
SCHEMBL18155958 0.62 CRHR1 (0.39) CRHR1CNR2CNR1
SCHEMBL25669146 0.60 STK17A (0.48) CRHR1
SCHEMBL15923148 0.60 SMN1; SMN2 (0.67)
SCHEMBL31197395 0.60 SMN1; SMN2 (0.67)
SCHEMBL15924449 0.60 SMN1; SMN2 (0.67)
SCHEMBL6074443 0.60 CRHR1 (0.65) CRHR1CNR1

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 CRHR1 1/4885ABL1 3534/4885CNR2 28/4885
US-20040087589-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R CRHR1 1/4885ABL1 3534/4885CNR2 28/4885

“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.