SCHEMBL4228724

SCHEMBL4228724

COCc1ccc([C@@H](C)N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
AGXT P21549 2/20 0.41
DPP4 P27487 3/20 0.38
AKT1 P31749 3/20 0.34
RPS6KA1 Q15418 3/20 0.34
PRKCA P17252 2/20 0.34
GRK2 P25098 1/20 0.34
ADRB2 P07550 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRKCG P05129 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
PRKCE Q02156 1/20 0.33
KMT2A Q03164 1/20 0.33
MYLK Q15746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APP P05067 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3640360 1.00 IDO1 (0.41) IDO1AGXTDPP4AKT1RPS6KA1
SCHEMBL20665441 0.86 IDO1 (0.39) IDO1AGXTDPP4PRKCAMEN1
SCHEMBL5455755 0.81 DPP4 (0.37) IDO1AGXTDPP4PRKCAMEN1
SCHEMBL27482180 0.81 DPP4 (0.37) IDO1AGXTDPP4PRKCAMEN1
SCHEMBL16047108 0.79 DPP4 (0.38) DPP4AKT1RPS6KA1PRKCAGRK2
SCHEMBL16047107 0.79 DPP4 (0.38) DPP4AKT1RPS6KA1PRKCAGRK2
SCHEMBL13953463 0.77 ESR1 (0.36) IDO1AGXTDPP4PRKCAMEN1
SCHEMBL19303918 0.74 IDO1 (0.46) IDO1AGXTPRKCAMEN1ALDH1A1
SCHEMBL706473 0.74 IDO1 (0.64) IDO1AGXTPRKCAMEN1ALDH1A1
SCHEMBL1585297 0.73 ADRB2 (0.50) DPP4AKT1RPS6KA1PRKCAGRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 IDO1 3948/4885AGXT 2585/4885DPP4 1577/4885

“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.