SCHEMBL10123643

SCHEMBL10123643

Cc1ccn2ccc(C#N)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL10123589 0.81 TSHR (0.36) TSHRKDM4E
SCHEMBL10123641 0.81 TRPV4 (0.32) TSHRALDH1A1
SCHEMBL10123623 0.81 TSHR (0.36) TSHRALDH1A1
SCHEMBL10123587 0.78 TSHR (0.47) TSHRKDM4EALDH1A1NPC1ALOX15
SCHEMBL10148351 0.75
SCHEMBL10123586 0.72 TSHR (0.35) TSHRKDM4EALDH1A1POLBMAPT
SCHEMBL10123591 0.68 ALDH1A1 (0.37) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL10123629 0.67 IMPDH2 (0.42) TSHRKDM4EALDH1A1POLBMAPT
SCHEMBL10123599 0.67 TSHR (0.37) TSHRKDM4EALDH1A1POLBRAB9A
SCHEMBL10123610 0.67 TRPV4 (0.33) KDM4EALDH1A1MAPT

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-8748452-B2 Indolizine derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-10 US disclosed
US-8748452-B2 Indolizine derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-10 US disclosed
US-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-01-19 US disclosed
US-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-01-19 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-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, INMT, PON1 TSHR 1474/4885KDM4E 3481/4885ALDH1A1 397/4885

“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.