SCHEMBL5494070

SCHEMBL5494070

Cc1nc2c(c(-n3cc(Br)cn3)n1)CCN2c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.44
CNR1 P21554 4/20 0.36
CNR2 P34972 1/20 0.36
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
PHGDH O43175 1/20 0.32
ROCK1 Q13464 1/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL5489117 0.83 CRHR1 (0.46) CRHR1CNR1CNR2ROCK1NOTUM
SCHEMBL2193222 0.80 CRHR1 (0.49) CRHR1PHGDHROCK1KDM4EMEN1
SCHEMBL5496966 0.79 CRHR1 (0.55) CRHR1CNR1CNR2
SCHEMBL5494959 0.76 CRHR1 (0.47) CRHR1CNR1ROCK1NOTUMMEN1
SCHEMBL5494384 0.75 CRHR1 (0.49) CRHR1CNR1CNR2KCNH2
SCHEMBL5487797 0.74 CRHR1 (0.49) CRHR1CNR1
SCHEMBL5494360 0.74 CRHR1 (0.48) CRHR1KDM4EALDH1A1LMNAMAPT
SCHEMBL3282113 0.74 CRHR1 (0.45) CRHR1CNR1ROCK1
SCHEMBL24257824 0.74 NOTUM (0.45) CNR1GABRA2GABRB2NOTUMMEN1
SCHEMBL5489065 0.73 CRHR1 (0.47) CRHR1PHGDHROCK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US claimed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US claimed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US 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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 CRHR1 2/4885CNR1 54/4885CNR2 125/4885

“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.