SCHEMBL12593286

SCHEMBL12593286

Cc1cc(N2CCC(C)CC2)c2c(C)cn(-c3c(C)cc(Br)cc3C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.36
KDM4E B2RXH2 5/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL12593302 0.92 KDM4E (0.36) CRHR1KDM4EMAPTLMNAALDH1A1
SCHEMBL12593305 0.90 ALDH1A1 (0.36) CRHR1KDM4EMAPTLMNAALDH1A1
SCHEMBL12593289 0.88 CRHR1 (0.46) CRHR1KDM4EMAPTLMNAALDH1A1
SCHEMBL12534976 0.88 CRHR1 (0.34) CRHR1KDM4EHPGDMAPK1MEN1
SCHEMBL12593339 0.88 CRHR1 (0.38) CRHR1KDM4EHPGDMAPK1MEN1
SCHEMBL1636320 0.87 CRHR1 (0.36) CRHR1KDM4EHPGDMAPK1HSD17B10
SCHEMBL1637095 0.87 CRHR1 (0.34) CRHR1KDM4EALDH1A1MAPK1MEN1
SCHEMBL12593384 0.87 KDM4E (0.34) CRHR1KDM4EMAPTLMNAALDH1A1
SCHEMBL12593379 0.87 CRHR1 (0.38) CRHR1KDM4EMAPK1MEN1KMT2A
SCHEMBL12593412 0.86 KDM4E (0.39) CRHR1KDM4EMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CRHR1 1/4885KDM4E 1985/4885MAPT 2514/4885

“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.