SCHEMBL3607675

SCHEMBL3607675

Cc1nn(C)c(Oc2cc(/C=C/C#N)ccc2Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
MAPT P10636 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
SCHEMBL3607678 1.00 FDPS (0.39) FDPSPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL3607854 0.82 SMN1; SMN2 (0.44) FDPSCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3612139 0.81 KDM4E (0.44) POLBSMN1; SMN2KDM4EMAPT
SCHEMBL3612143 0.81 KDM4E (0.44) POLBSMN1; SMN2KDM4EMAPT
SCHEMBL3614193 0.79 AR (0.40) POLBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3603069 0.79 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL3603074 0.79 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL3614548 0.76 GPBAR1 (0.32) POLBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3609108 0.75 MAPT (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL3609109 0.75 MAPT (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2KDM4E

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 FDPS 656/4885POLB 3604/4885CYP1A2 137/4885

“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.