SCHEMBL4189300

SCHEMBL4189300

Cc1nc(N2CCC(C)CC2)c2c(C)cn(-c3c(C)cc(Br)cc3C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
GAA P10253 3/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CRHR1 P34998 3/20 0.38
CNR2 P34972 1/20 0.37
FPR3 P25089 2/20 0.36
TSPO P30536 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 4/20 0.36
MAPT P10636 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4189295 0.90 CRHR1 (0.37) SMN1; SMN2CRHR1FPR3TSPOTMEM97
SCHEMBL27613714 0.88 CRHR1 (0.37) CRHR1FPR3TSPOTMEM97
SCHEMBL12593337 0.88 CRHR1 (0.39) ALDH1A1NPSR1SMN1; SMN2LMNACRHR1
SCHEMBL5138650 0.87 CRHR1 (0.36) CRHR1FPR3TSPOTMEM97
SCHEMBL29482249 0.87 MAP2K7 (0.45) SMN1; SMN2CRHR1FPR3TSPOTMEM97
SCHEMBL1636914 0.87 CRHR1 (0.35) ALDH1A1SMN1; SMN2CRHR1FPR3TSPO
SCHEMBL12534767 0.87 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97
SCHEMBL1039739 0.87 MAP2K7 (0.45) SMN1; SMN2CRHR1FPR3TSPOTMEM97
Hydrochloric Acid SCHEMBL1637180 0.86 MAP2K7 (0.44) SMN1; SMN2CRHR1FPR3TSPOTMEM97
SCHEMBL27613752 0.86 CRHR1 (0.37) CRHR1FPR3TSPOTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP claimed
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 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-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS CRHR1, HRH2, CRHR2 HTT 296/4885GAA 2461/4885USP2 3714/4885

“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.