SCHEMBL10123602

SCHEMBL10123602

CCc1ccc2c(C#N)ccn2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
CASP1 P29466 1/20 0.33
IMPDH2 P12268 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
BRCA1 P38398 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10123594 0.77 CYP2A6 (0.38) CYP2A6HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL10123585 0.77 ALDH1A1 (0.35) CYP2A6HPGDALDH1A1KDM4ETSHR
SCHEMBL6851414 0.67 PARP15 (0.38) ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL343454 0.66 IMPDH2 (0.41) HPGDALDH1A1KDM4ETSHRIMPDH2
SCHEMBL26415044 0.66 HTR1A (0.41)
SCHEMBL10149008 0.65 MAPT (0.32) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL10123590 0.64 ALDH1A1 (0.33) ALDH1A1KDM4ETSHRIMPDH2KMT2A
SCHEMBL12531382 0.63 IMPDH2 (0.56) CYP2A6ALDH1A1KDM4ETSHRCASP1
SCHEMBL10014102 0.63 CYP2A6 (0.52) CYP2A6HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL343188 0.63 CSNK2A1 (0.34)

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 CYP2A6 408/4885HPGD 433/4885CYP1A2 105/4885

“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.