SCHEMBL3604914

SCHEMBL3604914

CCc1cc(Cl)c(Oc2c(C#N)c(C)nn2C)cc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GRM2 Q14416 4/20 0.35
KDM4E B2RXH2 5/20 0.32
MAPT P10636 3/20 0.32
AR P10275 1/20 0.32
MAPK1 P28482 5/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
SCN9A Q15858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
SHMT2 P34897 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
SCHEMBL3608889 0.84 KDM4E (0.34) KDM4EMAPTMAPK1GPBAR1ALDH1A1
SCHEMBL3604728 0.81 KDM4E (0.39) POLBGRM2KDM4EMAPTGPBAR1
SCHEMBL3614091 0.75 MAPT (0.34) KDM4EMAPTGPBAR1ALDH1A1MEN1
SCHEMBL3608798 0.75 POLB (0.40) POLBKDM4EMAPTGPBAR1ALDH1A1
SCHEMBL3606741 0.74 POLB (0.45) POLBLMNA
SCHEMBL3611093 0.72 ALDH1A1 (0.35) POLBKDM4EMAPTGPBAR1ALDH1A1
SCHEMBL3610663 0.71 ALOX5 (0.32) KDM4EMAPT
SCHEMBL3614101 0.70 KDM4E (0.35) KDM4EMAPTGPBAR1HSD17B10TSHR
SCHEMBL3614488 0.69 AR (0.42) ARSCN9A
SCHEMBL3611438 0.69 KDM4E (0.35) KDM4EMAPTGPBAR1SMN1; SMN2SHMT2

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 3072/4885KDM4E 2049/4885

“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.