SCHEMBL2015077

SCHEMBL2015077

CON(C)C(=O)c1ccc2cccnc2c1-c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
DHODH Q02127 1/20 0.38
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
EGLN1 Q9GZT9 7/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL2017011 0.82 TRPM8 (0.41) ALDH1A1DHODHLMNAL3MBTL1EGLN1
SCHEMBL2014256 0.82 ALDH1A1 (0.44) ALDH1A1DHODHLMNAL3MBTL1MEN1
SCHEMBL2013802 0.81 KDM4E (0.40) ALDH1A1DHODHLMNAL3MBTL1MEN1
SCHEMBL643192 0.78 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1RAB9ANPC1
SCHEMBL2017299 0.78 ALDH1A1 (0.60) ALDH1A1EGLN1
SCHEMBL3922378 0.76 PARP1 (0.55) ALDH1A1LMNAL3MBTL1MEN1RAB9A
SCHEMBL781008 0.72 NAPRT (0.56) ALDH1A1LMNAL3MBTL1RAB9AKMT2A
SCHEMBL2013025 0.71 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1EGLN1KDM4E
SCHEMBL1223617 0.71 KMT2A (0.42) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL569266 0.70 TRPM8 (0.40) ALDH1A1L3MBTL1KMT2ATRPM8KDM4E

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-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
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 ALDH1A1 3722/4885DHODH 4416/4885LMNA 4440/4885

“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.