SCHEMBL10224935

SCHEMBL10224935

CCc1cc(F)c(C=O)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
HTR2B P41595 5/20 0.36
CYP3A4 P08684 1/20 0.36
KIF11 P52732 3/20 0.36
FFAR4 Q5NUL3 2/20 0.33
AR P10275 1/20 0.31
HSPA5 P11021 1/20 0.31
DAO P14920 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
SCHEMBL13263991 0.84 HTR2A (0.35) HTR2AHTR2CHTR2BCYP3A4KIF11
SCHEMBL31155329 0.83 MEN1 (0.35) CYP3A4KIF11AR
SCHEMBL12109792 0.83 CYP3A4 (0.34) CYP3A4
SCHEMBL13263826 0.77 CYP3A4 (0.35) CYP3A4
SCHEMBL13557209 0.76 HTR2A (0.40) HTR2AHTR2CHTR2BCYP3A4KIF11
SCHEMBL9342725 0.76 KIF11 (0.41) KIF11
SCHEMBL424780 0.74 KIF11 (0.40) KIF11
SCHEMBL7271102 0.73 KIF11 (0.39) HTR2AHTR2CKIF11
SCHEMBL20690107 0.72 CYP3A4 (0.32) CYP3A4
SCHEMBL10310070 0.70 CYP2D6 (0.36) CYP3A4KIF11ARDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 HTR2A 514/4885HTR2C 808/4885HTR2B 741/4885

“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.