SCHEMBL715924

SCHEMBL715924

Cc1c(F)ccc2cc(C(C)NC(=O)O)c(N3CCCC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACACB O00763 2/20 0.38
AKT1 P31749 5/20 0.37
AKT2 P31751 5/20 0.37
AKT3 Q9Y243 5/20 0.37
FABP3 P05413 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL14481792 0.89 OPRK1 (0.39) OPRK1
SCHEMBL14480924 0.87 OPRK1 (0.39) OPRK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL14481349 0.87 MAPT (0.42) OPRK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL715385 0.87 OPRK1 (0.43) OPRK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL714749 0.86 OPRK1 (0.39) OPRK1GPR6
SCHEMBL14481180 0.85 CHRNA7 (0.45) KDM4EALDH1A1POLBMAPTHSD17B10
SCHEMBL11378 0.84 KDM4E (0.39) OPRK1KDM4EALDH1A1POLBMAPT
SCHEMBL715806 0.84 OPRK1 (0.36) OPRK1ACACB
SCHEMBL715807 0.84 OPRK1 (0.36) OPRK1ACACB
SCHEMBL5299 0.84 SOS1 (0.38) OPRK1KDM4E

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-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US disclosed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 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 (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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 OPRK1 416/4885KDM4E 2430/4885NPC1 4125/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA OPRK1 305/4885KDM4E 3834/4885NPC1 3977/4885

“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.