SCHEMBL2114088

SCHEMBL2114088

Cc1c(F)ccc2cc(C(C)Nc3ccnc4ccnn34)c(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 3/20 0.40
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
IDH1 O75874 12/20 0.34
PDE2A O00408 2/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL863998 1.00 KCNN3 (0.40) KCNN3PIK3CDPIK3R1IDH1PDE2A
SCHEMBL864168 0.88 PIK3CD (0.36) KCNN3PIK3CDPIK3R1IDH1PDE2A
SCHEMBL2115344 0.84 OPRK1 (0.38) KCNN3PIK3CDPIK3R1CCNT1CDK9
SCHEMBL2115342 0.84 OPRK1 (0.38) KCNN3PIK3CDPIK3R1CCNT1CDK9
SCHEMBL863800 0.82 KCNN3 (0.39) KCNN3PIK3CDPIK3R1MAPKAPK2
SCHEMBL865639 0.81 KDM4E (0.37) KCNN3PIK3CDPIK3R1MAPKAPK2
SCHEMBL865638 0.81 KDM4E (0.37) KCNN3PIK3CDPIK3R1MAPKAPK2
SCHEMBL863559 0.80 MAPKAPK2 (0.35) KCNN3PIK3CDPIK3R1PDE2AMAPKAPK2
SCHEMBL2116488 0.80 IDH1 (0.43) PIK3CDPIK3R1IDH1
SCHEMBL863558 0.80 MAPKAPK2 (0.35) KCNN3PIK3CDPIK3R1PDE2AMAPKAPK2

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 1 patent. 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 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 KCNN3 1471/4885PIK3CD 6/4885PIK3R1 85/4885

“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.