SCHEMBL1197775

SCHEMBL1197775

O=C(O)c1cn(Cc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CRHBP P24387 1/20 0.52
MC4R P32245 1/20 0.52
CRHR2 Q13324 1/20 0.52
EIF4E P06730 18/20 0.49
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL1198479 0.81 MEN1 (0.40) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL1198720 0.77 MEN1 (0.56) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL1199026 0.74 MEN1 (0.46) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL1199115 0.74 KMO (0.47) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL1198911 0.73 MEN1 (0.52) MEN1KMT2ACRHBPMC4RCRHR2
SCHEMBL1198892 0.71 KDM4E (0.48) MEN1KMT2AEIF4EKDM4ENPC1
SCHEMBL16247099 0.70 KLKB1 (0.60)
SCHEMBL30730181 0.70 DGAT1 (0.55) KMT2A
SCHEMBL16246873 0.69 KLKB1 (0.60)
SCHEMBL1198753 0.69 TEAD2 (0.47) KDM4ENPC1RAB9A

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 7 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

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 2661/4885KMT2A 3197/4885CRHBP 3728/4885

“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.