Sugi Predict

Sugi Predict / Compounds / SCHEMBL2164787

SCHEMBL2164787

SCHEMBL2164787

Cc1cc(C(=O)N2CCN(c3c(C(C)N)cc(Cl)c4cccnc34)CC2)no1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 3/20 0.44
▸ GPR6 P46095 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL2164050 0.87 L3MBTL1 (0.48) ALDH1A1KDM4ETDP1MAPTL3MBTL1
SCHEMBL2163603 0.86 KDM4E (0.53) ALDH1A1TSHRKDM4EKMT2AMAPT
SCHEMBL2164804 0.85 GBA1 (0.43) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL2163140 0.84 ALDH1A1 (0.55) ALDH1A1TSHRKDM4ETDP1KMT2A
SCHEMBL2163930 0.84 NPY2R (0.44) ALDH1A1TSHRKMT2AMAPTL3MBTL1
SCHEMBL2163317 0.84 SMN1; SMN2 (0.44) ALDH1A1TSHRKDM4ETDP1KMT2A
SCHEMBL2036388 0.84 L3MBTL1 (0.40) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL2012835 0.83 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ETDP1KMT2A
SCHEMBL2016706 0.83 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ETDP1KMT2A
SCHEMBL2017181 0.82 L3MBTL1 (0.44) ALDH1A1KDM4ETDP1KMT2AMAPT

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 ALDH1A1 3722/4885TSHR 1701/4885KDM4E 1058/4885

“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.