SCHEMBL1237794

SCHEMBL1237794

CCC(Nc1cc(C)nc2c(-c3ccc(F)c(Cl)c3)c(C)nn12)c1nc(C)no1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.61
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 5/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL12889150 0.85 CRHR1 (0.68) CRHR1ALDH1A1MAPTKDM4ENPSR1
SCHEMBL1235189 0.82 CRHR1 (0.78) CRHR1
SCHEMBL1237807 0.82 CRHR1 (0.70) CRHR1
SCHEMBL1236639 0.81 CRHR1 (0.65) CRHR1
SCHEMBL1237250 0.80 CRHR1 (0.83) CRHR1MEN1KMT2A
SCHEMBL1237774 0.80 CRHR1 (0.84) CRHR1
SCHEMBL1236641 0.80 CRHR1 (0.84) CRHR1
SCHEMBL12889154 0.77 CRHR1 (0.78) CRHR1
SCHEMBL12889153 0.77 CRHR1 (0.78) CRHR1
Verucerfont SCHEMBL1236701 0.76 CRHR1 (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-08-14 US claimed
EP-1802627-A1 PYRAZOLO (1,5-ALPHA) PYRIMIDINYL DERIVATIVES USEFUL AS CORTICOTROPIN-RELEASING FACTOR (CRF) RECEPTOR ANTAGONISTS SB Pharmco Puerto Rico Inc. (PR) 2007-07-04 EP claimed
WO-2006044958-A1 PYRAZOLO [1,5-ALPHA] PYRIMIDINYL DERIVATIVES USEFUL AS CORTICOTROPIN-RELEASING FACTOR (CRF) RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. (PR) 2006-04-27 WO claimed
US-7879862-B2 Central nervous system disorders; psychological disorders; anxiolytic agents; irritable bowel syndrome; antidepressants SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2011-02-01 US disclosed
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-08-14 US disclosed
EP-1802627-A1 PYRAZOLO (1,5-ALPHA) PYRIMIDINYL DERIVATIVES USEFUL AS CORTICOTROPIN-RELEASING FACTOR (CRF) RECEPTOR ANTAGONISTS SB Pharmco Puerto Rico Inc. (PR) 2007-07-04 EP disclosed
WO-2006044958-A1 PYRAZOLO [1,5-ALPHA] PYRIMIDINYL DERIVATIVES USEFUL AS CORTICOTROPIN-RELEASING FACTOR (CRF) RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. (PR) 2006-04-27 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-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists CRHR1, CRH, CRHR2 CRHR1 1/4885ALDH1A1 3436/4885MAPT 4668/4885

“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.