SCHEMBL1031391

SCHEMBL1031391

Fc1ccc(C(F)(F)F)cc1-c1ccc2cccc(NCc3cccnc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
DDR1 Q08345 1/20 0.42
DDR2 Q16832 1/20 0.42
KDR P35968 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CDK2 P24941 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1033950 0.85 CYP3A4 (0.53) VNN1DDR1DDR2KDRCYP3A4
SCHEMBL1204069 0.85 CYP3A4 (0.53) VNN1MEN1MAPTKMT2ADDR1
SCHEMBL1034303 0.82 VNN1 (0.48) VNN1DDR1DDR2KDRCYP3A4
SCHEMBL1035586 0.82 VNN1 (0.48) VNN1MEN1MAPTPABPC1KMT2A
SCHEMBL1035436 0.82 P2RX7 (0.48) MEN1MAPTKMT2ACYP3A4CYP2C19
SCHEMBL1033966 0.82 CYP1A2 (0.57) MEN1MAPTKMT2ACYP3A4CYP2C19
SCHEMBL1035493 0.77 KMT2A (0.50) MEN1MAPTKMT2ACYP3A4CYP2C19
SCHEMBL1035314 0.75 ADRA2C (0.49) MEN1MAPTKMT2ACYP3A4CYP2C19
SCHEMBL1032557 0.74 CYP3A4 (0.55) MEN1KMT2ACYP3A4CYP2C19CYP1A2
SCHEMBL1030471 0.71 KMT2A (0.51) MEN1MAPTKMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 VNN1 2303/4885MEN1 2841/4885MAPT 903/4885

“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.