SCHEMBL3603732

SCHEMBL3603732

Cc1cc(Br)c(OCc2ccccc2)cc1Oc1c(C#N)c(C2CC2)nn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
GRM2 Q14416 1/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
PTPN1 P18031 2/20 0.33
IKBKB O14920 2/20 0.33
AS3MT Q9HBK9 1/20 0.33
GABRA1 P14867 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
LMNA P02545 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3605127 0.87 POLB (0.43) HTR2AHTR2CGRM2PTPN1AS3MT
SCHEMBL3600881 0.84 HTR2A (0.37) HTR2AHTR2CGABRG2GABRB3GABRA5
SCHEMBL3612380 0.84 PTPN1 (0.37) HTR2AHTR2CPTPN1LMNASMN1; SMN2
SCHEMBL3595566 0.80 KDM4E (0.38) HTR2AHTR2CPTPN1LMNAPTGER1
SCHEMBL3595561 0.80 KDM4E (0.38) HTR2AHTR2CPTPN1LMNAPTGER1
SCHEMBL3613260 0.80 PDE10A (0.32) LMNA
SCHEMBL3613728 0.77 L3MBTL1 (0.40) HTR2AHTR2CPTPN1STAT3HTT
SCHEMBL3599357 0.73 CYP1A2 (0.45) HTR2AHTR2CPTPN1LMNASTAT3
SCHEMBL3605301 0.71 MAPT (0.45) HTR2AHTR2CPTPN1STAT3HTT
SCHEMBL17659021 0.68 MAPT (0.53) HTR2AHTR2CPTPN1STAT3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R HTR2A 4427/4885HTR2C 3943/4885GRM2 3072/4885

“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.