SCHEMBL2113719

SCHEMBL2113719

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CCC(C(N)=O)CC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CCNA1 P78396 1/20 0.38
OPRK1 P41145 9/20 0.38
EGFR P00533 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN11 Q06124 1/20 0.32
AOC3 Q16853 1/20 0.32
RECQL P46063 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
PRKD1 Q15139 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
SCHEMBL2115728 0.93 OPRK1 (0.38) OPRK1KDM4E
SCHEMBL2116484 0.92 OPRK1 (0.38) OPRK1PRKD1
SCHEMBL2114085 0.89 OPRK1 (0.34) CCNT1CDK2CDK9CCNA1OPRK1
SCHEMBL2113546 0.89 KCNH2 (0.37) OPRK1KDM4EALDH1A1
SCHEMBL2113549 0.89 KCNH2 (0.37) OPRK1KDM4EALDH1A1
SCHEMBL2115342 0.87 OPRK1 (0.38) CCNT1CDK9OPRK1KDM4ENPC1
SCHEMBL2115344 0.87 OPRK1 (0.38) CCNT1CDK9OPRK1KDM4ENPC1
SCHEMBL2114702 0.87 P2RX3 (0.38) OPRK1
SCHEMBL2114696 0.87 P2RX3 (0.38) OPRK1
SCHEMBL2115676 0.86 OPRK1 (0.37) OPRK1KDM4EALDH1A1

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 CCNT1 2033/4885CDK2 73/4885CDK9 66/4885

“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.