SCHEMBL17487248

SCHEMBL17487248

Cc1ccc2nc(C(C)(F)F)ccc2c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
NT5E P21589 1/20 0.31
ADRB2 P07550 2/20 0.31
ADRA2A P08913 1/20 0.30
HTR2C P28335 1/20 0.30
AXL P30530 1/20 0.30
HRH1 P35367 1/20 0.30
HTR2B P41595 1/20 0.30
HTR6 P50406 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL16132403 0.90 NT5E (0.37) ALDH1A1NT5EADRB2ADRA2AHTR2C
SCHEMBL13815267 0.80 PDE3B (0.39) ALDH1A1NT5EADRB2ADRA2AHTR2C
SCHEMBL16132384 0.79 ALDH1A1 (0.49) ALDH1A1
SCHEMBL13666781 0.72 ALDH1A1 (0.36) ALDH1A1ADRB2ADRA2AHTR2CAXL
SCHEMBL24967231 0.71
SCHEMBL16132464 0.70 NT5E (0.40) ALDH1A1NT5EADRB2ADRA2AHTR2C
SCHEMBL10163487 0.68 NT5E (0.45) ALDH1A1NT5EADRB2ADRA2AHTR2C
SCHEMBL18554787 0.67 NOS3 (0.35)
SCHEMBL16132313 0.67 MAPT (0.54) ALDH1A1
SCHEMBL18611211 0.65 KDM4E (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ALDH1A1 3927/4885NT5E 4848/4885ADRB2 2448/4885

“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.