SCHEMBL1198153

SCHEMBL1198153

CCOC(=O)c1cnn(Cc2nc(-c3cccc(C(F)(F)F)c3)sc2Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ GRM2 Q14416 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ XPO1 O14980 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ RARA P10276 1/20 0.39
▸ RARB P10826 1/20 0.39

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
SCHEMBL1199200 0.91 MAPT (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1198021 0.90 MAPT (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1199163 0.90 MEN1 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12875874 0.89 RARA (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1198030 0.89 MEN1 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1198880 0.88 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1199603 0.88 MAPT (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1198397 0.87 MAPT (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1199288 0.86 MEN1 (0.52) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1199035 0.86 MAPT (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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-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
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 MAPT 4667/4885MEN1 2661/4885KMT2A 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.

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