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Sugi Predict / Compounds / SCHEMBL2014132

SCHEMBL2014132

SCHEMBL2014132

CON(C)C(=O)c1cc(Cl)c2cccnc2c1N1CCC(O[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 7/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 8/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 9/20 0.34
▸ RAB9A P51151 6/20 0.34
▸ MAPT P10636 6/20 0.34
▸ LMNA P02545 5/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ TP53 P04637 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ POLB P06746 2/20 0.34

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
SCHEMBL2164381 0.88 NPSR1 (0.42) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2015993 0.86 SLC40A1 (0.44) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2014720 0.82 ALDH1A1 (0.42) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2018396 0.79 SMO (0.42) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2014319 0.77 METAP2 (0.37) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2011831 0.77 HTT (0.42) NPSR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2163337 0.77 ALDH1A1 (0.36) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2018108 0.76 METAP2 (0.38) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2163888 0.76 ALDH1A1 (0.46) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2016169 0.74 ADORA2A (0.40) NPSR1ALDH1A1MEN1KMT2ACYP1A2

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 6 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
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 NPSR1 3638/4885ALDH1A1 3722/4885MEN1 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.