SCHEMBL2113546

SCHEMBL2113546

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CCN(C(=O)C4CC4)CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
P2RX3 P56373 1/20 0.37
OPRK1 P41145 6/20 0.36
SOS1 Q07889 6/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33

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
SCHEMBL2113549 1.00 KCNH2 (0.37) KCNH2P2RX3OPRK1SOS1MAPT
SCHEMBL2114696 0.91 P2RX3 (0.38) KCNH2P2RX3OPRK1SOS1
SCHEMBL2114702 0.91 P2RX3 (0.38) KCNH2P2RX3OPRK1SOS1
SCHEMBL2113556 0.90 P2RX3 (0.35) P2RX3OPRK1MAPTLMNA
SCHEMBL2113554 0.90 P2RX3 (0.35) P2RX3OPRK1MAPTLMNA
SCHEMBL2114085 0.90 OPRK1 (0.34) P2RX3OPRK1SOS1
SCHEMBL2115728 0.89 OPRK1 (0.38) OPRK1KDM4EUSP2HSD17B10
SCHEMBL2113805 0.89 P2RX3 (0.34) KCNH2P2RX3OPRK1SOS1
SCHEMBL2115362 0.89 OPRK1 (0.34) P2RX3OPRK1
SCHEMBL2117046 0.89 TP53 (0.35) P2RX3OPRK1SOS1MAPTALDH1A1

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 KCNH2 738/4885P2RX3 123/4885OPRK1 305/4885

“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.