SCHEMBL3607916

SCHEMBL3607916

Cc1nn(C)c(Oc2cc(O)c(C(=O)N(C)C)cc2Cl)c1C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.37
GPBAR1 Q8TDU6 5/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HSP90AA1 P07900 9/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL3607571 0.87 KDM4E (0.41) GPBAR1KDM4EMAPTHSP90AA1
SCHEMBL3593706 0.87 HTT (0.40) GPBAR1KDM4EMAPTHSP90AA1
SCHEMBL3610979 0.86 KDM4E (0.37) GPBAR1KDM4EMAPTHSP90AA1
SCHEMBL3617518 0.82 TSHR (0.36) GPBAR1KDM4EMAPT
SCHEMBL3614101 0.81 KDM4E (0.35) GPBAR1KDM4EMAPT
SCHEMBL3611438 0.80 KDM4E (0.35) GPBAR1KDM4EMAPT
SCHEMBL3608889 0.78 KDM4E (0.34) GPBAR1KDM4EMAPTHSP90AA1
SCHEMBL3601056 0.77 SMN1; SMN2 (0.40) GPBAR1KDM4EMAPT
SCHEMBL3613885 0.75 KDM4E (0.35) GPBAR1KDM4EMAPT
SCHEMBL3612135 0.75 LMNA (0.34) GPBAR1KDM4EMAPT

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 PDK1 105/4885GPBAR1 730/4885KDM4E 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.