SCHEMBL717314

SCHEMBL717314

O=Cc1cn(-c2ccc(C(F)(F)F)cn2)nc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
SMO Q99835 1/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
APAF1 O14727 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
HDAC4 P56524 1/20 0.37
CYP3A4 P08684 2/20 0.37
PDE2A O00408 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
LCAT P04180 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6036081 0.94 KDM4E (0.40) KDM4EABL1LMNASMOMAPT
SCHEMBL716206 0.80 KDM4E (0.44) KDM4EABL1LMNASMOMAPT
SCHEMBL6034557 0.80 LMNA (0.40) KDM4EABL1LMNASMOMAPT
SCHEMBL6034551 0.80 LMNA (0.40) KDM4EABL1LMNASMOMAPT
SCHEMBL16743011 0.78 ADRB1 (0.39) MAPTLCATCNR1
SCHEMBL721436 0.78 MAPT (0.40) KDM4EABL1LMNAMAPTSMN1; SMN2
SCHEMBL716536 0.77 MAPT (0.39) KDM4EABL1LMNASMOMAPT
SCHEMBL718302 0.77 SMN1; SMN2 (0.40) KDM4EABL1LMNASMOMAPT
SCHEMBL719529 0.76 LMNA (0.43) KDM4EABL1LMNAMAPTSMN1; SMN2
SCHEMBL719960 0.75 SMN1; SMN2 (0.39) KDM4EABL1LMNASMOMAPT

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
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ABL1 2349/4885LMNA 3028/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ABL1 2349/4885LMNA 3028/4885

“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.