SCHEMBL2115342

SCHEMBL2115342

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CCCC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.38
PIK3CD O00329 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIK3R1 P27986 1/20 0.34
KCNN3 Q9UGI6 1/20 0.33
DPP4 P27487 3/20 0.32
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31

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
SCHEMBL2115344 1.00 OPRK1 (0.38) OPRK1PIK3CDKDM4ENPC1ALDH1A1
SCHEMBL2114702 0.89 P2RX3 (0.38) OPRK1PIK3CD
SCHEMBL2115940 0.89 ALDH1A1 (0.36) OPRK1PIK3CDKDM4EALDH1A1POLB
SCHEMBL2115939 0.89 ALDH1A1 (0.36) OPRK1PIK3CDKDM4EALDH1A1POLB
SCHEMBL2114696 0.89 P2RX3 (0.38) OPRK1PIK3CD
SCHEMBL2115241 0.88 KDM4E (0.35) OPRK1PIK3CDKDM4EALDH1A1POLB
SCHEMBL2114289 0.88 MEN1 (0.35) OPRK1PIK3CDPIK3R1
SCHEMBL2114085 0.88 OPRK1 (0.34) OPRK1PIK3CDPIK3R1CCNT1CDK9
SCHEMBL2114292 0.88 MEN1 (0.35) OPRK1PIK3CDPIK3R1
SCHEMBL2115242 0.88 KDM4E (0.35) OPRK1PIK3CDKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA OPRK1 305/4885PIK3CD 6/4885KDM4E 3834/4885

“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.