SCHEMBL3605127

SCHEMBL3605127

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GRM2 Q14416 1/20 0.37
TSHR P16473 2/20 0.37
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
AS3MT Q9HBK9 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTPN1 P18031 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL3603732 0.87 HTR2A (0.37) GRM2AS3MTPTPN1HTR2AHTR2C
SCHEMBL3613728 0.86 L3MBTL1 (0.40) ATP4AATP4BCYP1A2MAPK1PTPN1
SCHEMBL3599357 0.82 CYP1A2 (0.45) MEN1CYP1A2CYP2C9KMT2APTPN1
SCHEMBL3600881 0.74 HTR2A (0.37) ATP4AATP4BCYP1A2PTPN1HTR2A
SCHEMBL3604504 0.73 RHEB (0.41) ATP4AATP4BMAPK1HTR2AHTR2C
SCHEMBL3612380 0.73 PTPN1 (0.37) MEN1CYP1A2CYP2C9KMT2APTPN1
SCHEMBL3605301 0.72 MAPT (0.45) MEN1MAPK1BLMKMT2APTPN1
SCHEMBL17659021 0.72 MAPT (0.53) MEN1MAPK1KMT2APTPN1HTR2A
SCHEMBL3595561 0.70 KDM4E (0.38) CYP1A2PTPN1HTR2AHTR2CLMNA
SCHEMBL3595566 0.70 KDM4E (0.38) CYP1A2PTPN1HTR2AHTR2CLMNA

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 POLB 3604/4885GRM2 3072/4885TSHR 2023/4885

“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.