SCHEMBL2113700

SCHEMBL2113700

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CCN(C(=O)c4ccncc4)CC3)nc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
OPRK1 P41145 6/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GBA1 P04062 1/20 0.34
CFTR P13569 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2113702 1.00 ABCB1 (0.36) ABCB1ABCG2SMN1; SMN2OPRK1LMNA
SCHEMBL2114696 0.91 P2RX3 (0.38) ABCG2OPRK1
SCHEMBL2114702 0.91 P2RX3 (0.38) ABCG2OPRK1
SCHEMBL2114085 0.90 OPRK1 (0.34) OPRK1
SCHEMBL2115362 0.89 OPRK1 (0.34) OPRK1
SCHEMBL2113805 0.89 P2RX3 (0.34) OPRK1HTT
SCHEMBL2116472 0.89 ALDH1A1 (0.38) SMN1; SMN2LMNATSHRL3MBTL1MAPT
SCHEMBL2116470 0.89 ALDH1A1 (0.38) SMN1; SMN2LMNATSHRL3MBTL1MAPT
SCHEMBL2113556 0.89 P2RX3 (0.35) OPRK1LMNATSHRL3MBTL1MAPT
SCHEMBL2113554 0.89 P2RX3 (0.35) OPRK1LMNATSHRL3MBTL1MAPT

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 ABCB1 1328/4885ABCG2 2592/4885SMN1; SMN2 2618/4885

“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.