SCHEMBL10036934

SCHEMBL10036934

COc1ncc(Oc2cccc(C(F)(F)F)c2)c2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP1CA P62136 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TEAD1 P28347 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTA4H P09960 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
P2RY1 P47900 1/20 0.39
TP53 P04637 1/20 0.39
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38

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
SCHEMBL14998441 0.85 ALDH1A1 (0.47) PPP1CAKMT2AL3MBTL1MAPTNPSR1
SCHEMBL14998263 0.85 TEAD1 (0.45) PPP1CAKMT2AL3MBTL1MAPTNPSR1
SCHEMBL15003085 0.83 ALDH1A1 (0.42) PPP1CAKMT2AL3MBTL1MAPTNPSR1
SCHEMBL14998310 0.81 KMT2A (0.46) PPP1CAKMT2AL3MBTL1MAPTNPSR1
SCHEMBL14998507 0.79 USP2 (0.47) KMT2AL3MBTL1MAPTALDH1A1RAB9A
SCHEMBL14998244 0.76 CYP2C9 (0.54) KMT2AL3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL10036994 0.75 MAPT (0.51) MAPTTEAD1ALDH1A1RAB9AGAA
SCHEMBL14998484 0.74 PTGER4 (0.46) KMT2AL3MBTL1NPSR1ALDH1A1RAB9A
SCHEMBL10037133 0.72 MAPT (0.45) KMT2AMAPTALDH1A1POLB
SCHEMBL10036988 0.72 KDM4E (0.54) KMT2AL3MBTL1MAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2599774-B1 CONDENSED PYRIDINE COMPOUNDS AS CB2 CANNABINOID RECEPTOR LIGANDS ASTELLAS PHARMA INC (JP) 2016-07-06 EP disclosed
US-8791106-B2 Fused ring pyridine compound ASTELLAS PHARMA INC. (JP) 2014-07-29 US disclosed
US-20130143874-A1 FUSED RING PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 US disclosed
EP-2599774-A1 CONDENSED RING PYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2013-06-05 EP disclosed
WO-2012014963-A1 CONDENSED RING PYRIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-02-02 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-20130143874-A1 FUSED RING PYRIDINE COMPOUND CNR2, CNR1, TRPV1 PPP1CA 3811/4885KMT2A 1941/4885L3MBTL1 4685/4885

“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.