SCHEMBL10123587

SCHEMBL10123587

Cc1cccn2ccc(C#N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 6/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MAP2K1 Q02750 1/20 0.32
AR P10275 4/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 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
SCHEMBL10123643 0.78 TSHR (0.39) TSHRCYP1A2CYP2C19KDM4EALOX15
SCHEMBL10123610 0.77 TRPV4 (0.33) KDM4EL3MBTL1ALDH1A1SMN1; SMN2IMPDH2
SCHEMBL10123577 0.77 PSMB8 (0.37) CYP1A2CYP2C19KDM4EL3MBTL1ALDH1A1
SCHEMBL8404411 0.77 TSHR (0.38) TSHRCYP1A2KDM4EALOX15ALDH1A1
SCHEMBL10123599 0.77 TSHR (0.37) TSHRKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL10123629 0.77 IMPDH2 (0.42) TSHRKDM4ELMNAALDH1A1GAA
SCHEMBL10123623 0.76 TSHR (0.36) TSHRALDH1A1AR
SCHEMBL10123589 0.76 TSHR (0.36) TSHRKDM4E
SCHEMBL10123586 0.74 TSHR (0.35) TSHRKDM4ELMNAALOX15CASP1
SCHEMBL10123641 0.72 TRPV4 (0.32) TSHRALDH1A1AR

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 5 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
EP-2415771-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP 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 1474/4885CYP1A2 105/4885CYP2C19 183/4885

“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.