SCHEMBL1198923

SCHEMBL1198923

CCOC(=O)c1cnn(C(C)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 6/20 0.42
KMT2A Q03164 4/20 0.41
ABL1 P00519 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
TEAD2 Q15562 1/20 0.39
CRHBP P24387 1/20 0.38
MC4R P32245 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL12875700 0.87 L3MBTL1 (0.43) KMT2AMEN1KDM4EMAPTCYP2C19
SCHEMBL1198989 0.86 MEN1 (0.54) EIF4EKMT2AABL1MEN1KDM4E
SCHEMBL1198037 0.84 KDM4E (0.48) KMT2AMEN1KDM4EMAPTCYP2C19
SCHEMBL1199001 0.81 KMT2A (0.48) EIF4EKMT2AABL1MEN1KDM4E
SCHEMBL1198564 0.79 EIF4E (0.43) EIF4EKMT2AABL1MEN1KDM4E
SCHEMBL1198744 0.78 EIF4E (0.42) EIF4EKMT2AABL1MEN1KDM4E
SCHEMBL27919054 0.74 GABRB2 (0.44) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL12875701 0.73 SIRT5 (0.44) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL12875776 0.72 ABL1 (0.45) KMT2AABL1MEN1KDM4ENPC1
SCHEMBL12875899 0.72 GRM2 (0.41) EIF4EKMT2AMEN1KDM4ENPC1

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 EIF4E 1200/4885KMT2A 3197/4885ABL1 3640/4885

“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.