SCHEMBL21483516

SCHEMBL21483516

Cc1cc(-c2cccnc2)nc2c(C(=O)NC3CCC(c4ccco4)CC3)ccn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.39
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
TGFBR1 P36897 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL17743013 0.85 KDM4E (0.44) LMNAPOLBMAPK14CACNA1BAPBA1
SCHEMBL19451998 0.85 CRHR1 (0.47) CRHR1CRHR2LMNAPOLBKDM4E
SCHEMBL21460976 0.81 CRHR1 (0.47) CRHR1CRHR2LMNAPOLBKCNH2
SCHEMBL19452192 0.81 CRHR1 (0.47) CRHR1CRHR2LMNAPOLBKCNH2
SCHEMBL19451996 0.81 CD38 (0.47) CRHR1CRHR2LMNAPOLBKCNH2
SCHEMBL21460951 0.81 CD38 (0.47) CRHR1CRHR2LMNAPOLBKCNH2
SCHEMBL21757774 0.81 CACNA1B (0.40) LMNAPOLBMAPK14TGFBR1CACNA1B
SCHEMBL21460970 0.80 CD38 (0.51) CRHR1CRHR2LMNAPOLBKCNH2
SCHEMBL19452178 0.80 CD38 (0.51) CRHR1CRHR2LMNAPOLBKCNH2
SCHEMBL21461077 0.79 CD38 (0.47) CRHR1CRHR2LMNAPOLBKCNH2

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-20190315751-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2019-10-17 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-20190315751-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, GAA, SNCA CRHR1 2331/4885CRHR2 2193/4885LMNA 1301/4885

“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.