Sugi Predict

Sugi Predict / Compounds / SCHEMBL2014978

SCHEMBL2014978

SCHEMBL2014978

OCc1cc(Br)c2cccnc2c1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.46
▸ TP53 P04637 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HTT P42858 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HSP90AA1 P07900 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ RAB9A P51151 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ MPI P34949 1/20 0.43

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
SCHEMBL2014752 0.80 KMT2A (0.40) KDM4ETP53MEN1KMT2AHTT
SCHEMBL2012265 0.75 PIK3CD (0.42) KDM4ETP53MEN1KMT2AHTT
SCHEMBL2014788 0.75 TAAR1 (0.43) KDM4EKMT2AL3MBTL1MPICDC7
SCHEMBL2010638 0.75 MAP4K4 (0.40) KDM4ECDC7ROCK2MAP4K4PIM1
SCHEMBL2015218 0.73 CDC7 (0.40) KDM4EMEN1KMT2ATDP1LMNA
SCHEMBL2015779 0.73 PIK3CD (0.44) KDM4ETP53MEN1KMT2AHTT
SCHEMBL2013016 0.73 TAAR1 (0.41) KDM4EHTTCDC7ROCK2MAP4K4
SCHEMBL30280370 0.72 CDC7 (0.52) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL2017434 0.72 TAAR1 (0.40) KDM4ECDC7ROCK2MAP4K4PIM1
SCHEMBL2015837 0.72 KDM4E (0.38) KDM4ECDC7ROCK2MAP4K4PIM1

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 8 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
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 KDM4E 1058/4885TP53 768/4885MEN1 4620/4885

“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.