SCHEMBL13771995

SCHEMBL13771995

CCc1cncc(C(N)=S)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.42
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
MAPKAPK2 P49137 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
SCHEMBL2913539 0.82 MRGPRX4 (0.32) CYP1A2POLBMRGPRX4MAPKAPK2
SCHEMBL7573577 0.81 ADORA3 (0.42) KDM4ELMNATSHRMRGPRX4
SCHEMBL20198550 0.74 MRGPRX4 (0.32) MRGPRX4
SCHEMBL1760358 0.74 HCAR2 (0.41) CYP1A2POLBSMN1; SMN2KDM4ELMNA
SCHEMBL15272578 0.74 MRGPRX4 (0.38) SMN1; SMN2MRGPRX4
SCHEMBL24993307 0.74 P2RX7 (0.42) CYP1A2KDM4ECYP3A4MRGPRX4
SCHEMBL15006457 0.74 BAZ2B (0.47) BAZ2B
SCHEMBL830961 0.73 NOS3 (0.36)
SCHEMBL14872363 0.70 MRGPRX4 (0.57) MRGPRX4
SCHEMBL13765790 0.69 BAZ2B (0.42) BAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 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-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA BAZ2B 2278/4885CYP1A2 32/4885POLB 2157/4885

“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.