SCHEMBL3772635

SCHEMBL3772635

CC(C)(C)OC(=O)N1Cc2ccccc2-n2nnc(-c3ccc(F)cc3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 2/20 0.41
MAPK1 P28482 1/20 0.40
GRM5 P41594 4/20 0.38
GRM1 Q13255 4/20 0.38
NAMPT P43490 2/20 0.38
HPGDS O60760 1/20 0.38
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNG1 Q06432 1/20 0.37
CACNB2 Q08289 1/20 0.37

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
SCHEMBL3777322 0.78 DPP4 (0.46)
SCHEMBL17926168 0.77 DPP4 (0.48) GRM5GRM1GRIA1MEN1KMT2A
SCHEMBL3762472 0.74 CASP6 (0.54) MAPK1NAMPTMEN1KMT2ALMNA
SCHEMBL3766563 0.72 DPP4 (0.65)
SCHEMBL29676965 0.71 MAPK1 (0.64) MAPK1NAMPT
SCHEMBL5183098 0.71 MAPK1 (0.64) MAPK1NAMPT
SCHEMBL16518028 0.71 UCHL1 (0.49) MAPK1NAMPTMEN1KMT2A
SCHEMBL22638739 0.70 ESR2 (0.52) MAPK1
SCHEMBL12197348 0.69 MAPK1 (0.46) MAPK1NAMPT
SCHEMBL14996188 0.69 NPC1 (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 SLC34A1 298/4885MAPK1 2715/4885GRM5 2490/4885

“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.