SCHEMBL10123599

SCHEMBL10123599

CCc1cccn2ccc(C#N)c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP19A1 P11511 1/20 0.34
AR P10275 1/20 0.33
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA1 P14867 3/20 0.31
GABRB2 P47870 3/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
CREBBP Q92793 1/20 0.31
GALR3 O60755 1/20 0.31
RAB9A P51151 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
SCHEMBL10123587 0.77 TSHR (0.47) TSHRNPSR1KMT2AARKDM4E
SCHEMBL10149545 0.74 MAPT (0.42) KMT2AMEN1MGLLKDM4EGABRA1
SCHEMBL10123610 0.73 TRPV4 (0.33) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL10123577 0.73 PSMB8 (0.37) ARKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL10123629 0.72 IMPDH2 (0.42) TSHRPOLBHTTARKDM4E
SCHEMBL106062 0.69 TSHR (0.50) TSHRHTTCYP19A1ARMGLL
Ethane SCHEMBL2154770 0.67 TSHR (0.48) TSHRHTTCYP19A1ARMGLL
SCHEMBL10123643 0.67 TSHR (0.39) TSHRPOLBHTTKDM4EHPGD
SCHEMBL23116419 0.67 GABRA1 (0.33) TSHRMGLLKDM4EHPGDGABRA1
SCHEMBL19066174 0.66 AR (0.37) AR

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 1474/4885NPSR1 602/4885POLB 4007/4885

“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.