SCHEMBL2038486

SCHEMBL2038486

CC(=O)c1cc(Cl)c2cnn(C)c2c1-c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
S1PR2 O95136 3/20 0.33
GRIN2B Q13224 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
P2RX7 Q99572 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP11B2 P19099 1/20 0.30
XPO1 O14980 1/20 0.30
SCN9A Q15858 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
SCHEMBL2042317 0.75
SCHEMBL2016189 0.75 GRIN2B (0.35) MAPK1GRIN2BMAOAMAOBALDH1A1
SCHEMBL2038476 0.73 MAP4K1 (0.34) MAPK1MAOBXPO1SCN9A
SCHEMBL15621463 0.71 MAPK1 (0.34) MAPK1P2RX7NPC1RAB9AKCNH2
SCHEMBL14723278 0.68 MAOB (0.36) MAPK1S1PR2MAOAMAOBNPC1
SCHEMBL9929396 0.68 MAOA (0.42) MAPK1MAOAMAOBP2RX7NPC1
SCHEMBL9929035 0.68 MAPK1 (0.32) MAPK1MAOAMAOB
SCHEMBL2166032 0.68 MAPK1 (0.32) MAPK1GRIN2BALDH1A1MAPTHPGD
SCHEMBL9929195 0.66 POLB (0.33) MAPK1
SCHEMBL9929276 0.66 MAPK1 (0.33) MAPK1P2RX7NPC1RAB9AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 MAPK1 390/4885S1PR2 2265/4885GRIN2B 2647/4885

“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.