Sugi Predict

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SCHEMBL1198977

SCHEMBL1198977

CCOC(=O)c1cnn(Cc2nc(-c3cccc(C(F)(F)F)c3)c(C)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RARA P10276 2/20 0.45
▸ RARB P10826 2/20 0.45
▸ RARG P13631 2/20 0.45
▸ GRM5 P41594 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ XPO1 O14980 1/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL1199084 0.90 EGLN1 (0.46) MEN1MAPTKMT2ARARARARB
SCHEMBL1198629 0.85 MEN1 (0.49) MEN1MAPTKMT2AGRM5KDM4E
SCHEMBL12876474 0.84 MEN1 (0.53) MEN1MAPTKMT2AGRM5KDM4E
SCHEMBL1198067 0.84 KDM4E (0.49) MEN1MAPTKMT2AKDM4EKCNH2
SCHEMBL1199200 0.84 MAPT (0.57) MEN1MAPTKMT2ARARARARB
SCHEMBL12890304 0.83 KCNH2 (0.47) MEN1MAPTKMT2AKCNH2ADORA2A
SCHEMBL1198435 0.83 MAPT (0.49) MEN1MAPTKMT2AGRM5KDM4E
SCHEMBL1199293 0.83 MEN1 (0.48) MEN1MAPTKMT2AGRM5KDM4E
SCHEMBL1198706 0.82 MEN1 (0.50) MEN1MAPTKMT2AGRM5KDM4E
SCHEMBL1199035 0.82 MAPT (0.57) MEN1MAPTKMT2AGRM5KDM4E

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 — — EP disclosed
WO-2009123316-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-08 — — 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A MEN1 2661/4885MAPT 4667/4885KMT2A 3197/4885

“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.