SCHEMBL1198482

SCHEMBL1198482

O=C(O)c1cnn(-c2nc(Cc3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 4/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 3/20 0.52
CRHBP P24387 1/20 0.52
MC4R P32245 1/20 0.52
CRHR2 Q13324 1/20 0.52
ITGB3 P05106 13/20 0.52
ITGA2B P08514 13/20 0.52
ATM Q13315 1/20 0.50

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
SCHEMBL1197395 0.91 KDM4E (0.57) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL1197661 0.90 KDM4E (0.55) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL1198545 0.90 KDM4E (0.55) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL1198481 0.87 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2AITGB3
SCHEMBL1198785 0.84 MEN1 (0.68) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL1198576 0.81 KDM4E (0.83) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL1198154 0.79 KDM4E (0.62) KDM4EALDH1A1MEN1KMT2AITGB3
SCHEMBL28787228 0.79 KDM4E (0.60) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL27806760 0.79 MEN1 (0.62) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL1198516 0.78 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AITGB3

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
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 CN 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
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 KDM4E 1877/4885ALDH1A1 1037/4885RAB9A 2507/4885

“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.