SCHEMBL1198939

SCHEMBL1198939

CCOC(=O)c1cnn(Cc2nc(-c3cc(Cl)cc(C(F)(F)F)c3)sc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ATF1 P18846 2/20 0.39
NFKB1 P19838 2/20 0.39
GRM2 Q14416 1/20 0.39
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
TRPM8 Q7Z2W7 3/20 0.37
PTPN11 Q06124 1/20 0.36
GRM5 P41594 1/20 0.35
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL1198599 0.91 MEN1 (0.43) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL1198829 0.91 MEN1 (0.45) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL1199152 0.90 MAPT (0.44) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL1198548 0.89 EGLN1 (0.39) MAPTL3MBTL1
SCHEMBL12876105 0.89 RARA (0.40) MAPTMEN1KMT2AKDM4EGRM2
SCHEMBL12890247 0.89 MAPT (0.41) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL1199200 0.88 MAPT (0.57) MAPTMEN1KMT2AKDM4EHSP90AA1
Hydrochloric Acid SCHEMBL1198718 0.88 MAPT (0.41) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL1197779 0.85 MAPT (0.42) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL1197781 0.85 MAPT (0.42) MAPTMEN1KMT2AKDM4EHSP90AA1

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 5 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

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.