SCHEMBL4158644

SCHEMBL4158644

CS(=O)(=O)OCC#Cc1cncc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PTGS2 P35354 1/20 0.30
POLB P06746 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL4772674 0.80 GRM5 (0.44) GRM5HTTMAPTSMN1; SMN2RAB9A
SCHEMBL9948053 0.74 GRM5 (0.47) GRM5HTTMAPTSMN1; SMN2RAB9A
SCHEMBL7574068 0.73
SCHEMBL7572843 0.72 ALDH2 (0.31)
SCHEMBL3722709 0.71 GRM5 (0.48) GRM5HTTMAPTSMN1; SMN2RAB9A
SCHEMBL6198001 0.70 CHRM2 (0.33) GRM5
SCHEMBL4479201 0.70 TACR1 (0.38) HTTMAPTSMN1; SMN2KDM4EPTGS2
SCHEMBL3802122 0.70 GRM5 (0.44) GRM5HTTMAPTSMN1; SMN2KDM4E
SCHEMBL3665917 0.70 CYP2A6 (0.54) GRM5HTTMAPTSMN1; SMN2RAB9A
SCHEMBL3452817 0.69 CA12 (0.51) HTTMAPTRAB9AKDM4EPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 GRM5 891/4885HTT 1495/4885MAPT 1924/4885

“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.