SCHEMBL2315072

SCHEMBL2315072

Nc1nc(C(F)(F)F)c(C(=O)c2ccc(F)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 7/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
LTA4H P09960 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
ESR1 P03372 1/20 0.39
GRM5 P41594 1/20 0.39
USP2 O75604 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL2315805 0.89 NPC1 (0.45) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL13536655 0.87 HPGD (0.49) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL2314406 0.87 MAPT (0.49) CCNA2CDK2NPC1RAB9AKMT2A
SCHEMBL2315038 0.78 CCNA2 (0.47) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL2317008 0.77 NPC1 (0.45) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL8694581 0.74 CCNA2 (0.47) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL3183944 0.74 NPC1 (0.45) CCNA2CDK2CDK5CDK5R1NPC1
SCHEMBL874572 0.74 ALDH1A1 (0.41) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL11330712 0.74 ALDH1A1 (0.41) CDK2MAPTHPGDALDH1A1
SCHEMBL3242730 0.73 NPC1 (0.44) CCNA2CDK2CDK5CDK5R1NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703761-B2 Organic compounds NOVARTIS AG (CH) 2014-04-22 US disclosed
EP-2559455-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2013-02-20 EP disclosed
EP-2548618-A2 Organic compounds Novartis AG (CH) 2013-01-23 EP disclosed
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed
EP-2349484-A2 HETEROARYL DERIVATIVES AS DGAT1 INHIBITORS Novartis AG (CH) 2011-08-03 EP disclosed
CN-102119047-A Heteroaryl derivatives as DGAT1 inhibitors NOVARTIS AG 2011-07-06 CN disclosed
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 US disclosed
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 US disclosed
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 US disclosed
WO-2010007046-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-21 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-20100022513-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 CCNA2 2404/4885CDK2 2340/4885CDK5 2841/4885

“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.