SCHEMBL544150

SCHEMBL544150

CCn1cc2c(C=CC#N)cccc2n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL544071 1.00 MAT2A (0.32) MAT2AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL543896 0.78 SMN1; SMN2 (0.36) MAT2AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL22573203 0.71 ALDH1A1 (0.38) HTTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6118775 0.69 ALDH1A1 (0.41) HTTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL17682469 0.69 AR (0.39) MAT2AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL29303418 0.69 TSHR (0.43) HTTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL26156069 0.69 CYP1A2 (0.37) MAT2AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL24743746 0.67 MPO (0.40) MAT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL27780630 0.67 FGFR1 (0.39) SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL543413 0.67 ATM (0.41) MAT2AHTTSMN1; SMN2KDM4EALDH1A1

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
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH MAT2A 654/4885HTT 473/4885SMN1; SMN2 1317/4885

“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.