SCHEMBL17700283

SCHEMBL17700283

Cc1ccnc(NCC(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
DYRK1B Q9Y463 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
RXRA P19793 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
ACACB O00763 1/20 0.42
HRH4 Q9H3N8 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
FASN P49327 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
SCHEMBL91405 0.84 HRH4 (0.55) NPSR1MAPTCYP2C9ACACBHRH4
SCHEMBL91468 0.81 HRH4 (0.46) NPSR1MAPTCYP2C9HRH4SMN1; SMN2
SCHEMBL91473 0.77 NPSR1 (0.49) NPSR1MAPTCYP2C9NPC1SMN1; SMN2
SCHEMBL91472 0.75 CDK4 (0.46) NPSR1MAPTCYP2C9HRH4NPC1
SCHEMBL17700184 0.74 ALDH1A1 (0.54) DYRK1BRXRAGRIN1GRIN2BACACB
SCHEMBL91452 0.74 NPSR1 (0.46) NPSR1MAPTCYP2C9HRH4NPC1
SCHEMBL13218581 0.74 HRH4 (0.43) NPSR1MAPTCYP2C9RXRAGRIN1
SCHEMBL91477 0.73 ACACB (0.51) NPSR1ACACBHRH4FASN
SCHEMBL91476 0.73 MAPK1 (0.49) NPSR1MAPTCYP2C9HRH4MAPK1
SCHEMBL13034199 0.73 CXCR4 (0.54) NPSR1MAPTCYP2C9NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 US 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 NPSR1 1354/4885DYRK1B 3624/4885MAPT 3476/4885

“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.