SCHEMBL719337

SCHEMBL719337

COC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
ACACB O00763 2/20 0.41
HDAC4 P56524 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TIPARP Q7Z3E1 1/20 0.40
HPGD P15428 1/20 0.40
CFTR P13569 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6034721 0.88 SMN1; SMN2 (0.57) PANK3LMNAMAPTSMN1; SMN2NPC1
SCHEMBL14905671 0.85 MAPT (0.47) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL719325 0.83 LMNA (0.43) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL719745 0.82 SMN1; SMN2 (0.47) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL718902 0.82 MAPT (0.44) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL719529 0.80 LMNA (0.43) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL718600 0.80 SMN1; SMN2 (0.45) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6036227 0.80 MLYCD (0.43) PANK3LMNAMAPTSMN1; SMN2NPC1
SCHEMBL6035699 0.80 SMN1; SMN2 (0.55) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6036224 0.80 MLYCD (0.43) PANK3LMNAMAPTSMN1; SMN2NPC1

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 PANK3 3296/4885LMNA 3028/4885MAPT 4533/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PANK3 3296/4885LMNA 3028/4885MAPT 4533/4885

“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.