SCHEMBL2642802

SCHEMBL2642802

[O]c1c(F)cccc1CF

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 5/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
IDO1 P14902 2/20 0.35
KCNN4 O15554 1/20 0.35
THRB P10828 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL2642604 0.79 APOBEC3G (0.41) TAAR1LMNAALDH1A1CES2CES1
SCHEMBL331592 0.76
SCHEMBL283845 0.75 TAAR1 (0.41) TAAR1LMNAALDH1A1CES2CES1
SCHEMBL283466 0.74
SCHEMBL5852660 0.73 TAAR1 (0.39) TAAR1LMNAALDH1A1IDO1KCNN4
SCHEMBL15870721 0.71 ACHE (0.39) TAAR1LMNAALDH1A1IDO1KCNN4
SCHEMBL28528505 0.71 GABRA1 (0.46) TAAR1LMNAALDH1A1IDO1KCNN4
SCHEMBL2642807 0.71 ALB (0.43) TAAR1ALDH1A1CES2CES1IDO1
SCHEMBL13060793 0.71 ALDH1A1 (0.43) TAAR1LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL15237593 0.69 CES2 (0.48) LMNAALDH1A1CES2CES1THRB

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-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK L3MBTL1 4584/4885TAAR1 4401/4885LMNA 4577/4885

“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.