SCHEMBL2115241

SCHEMBL2115241

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CCN(c4cnccn4)CC3)nc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
OPRK1 P41145 7/20 0.34
CDK2 P24941 1/20 0.33
MAPT P10636 2/20 0.32
ACHE P22303 2/20 0.32
DPP4 P27487 1/20 0.31
SORD Q00796 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
POLB P06746 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
SCHEMBL2115242 1.00 KDM4E (0.35) KDM4EALDH1A1PKMOPRK1CDK2
SCHEMBL2115939 0.90 ALDH1A1 (0.36) KDM4EALDH1A1OPRK1MAPTPIK3CD
SCHEMBL2115940 0.90 ALDH1A1 (0.36) KDM4EALDH1A1OPRK1MAPTPIK3CD
SCHEMBL2115342 0.88 OPRK1 (0.38) KDM4EALDH1A1PKMOPRK1MAPT
SCHEMBL2115344 0.88 OPRK1 (0.38) KDM4EALDH1A1PKMOPRK1MAPT
SCHEMBL2118091 0.88 PIK3CD (0.35) OPRK1CDK2DPP4PIK3CDPIK3R1
SCHEMBL2118093 0.88 PIK3CD (0.35) OPRK1CDK2DPP4PIK3CDPIK3R1
SCHEMBL2114696 0.85 P2RX3 (0.38) OPRK1PIK3CD
SCHEMBL2114702 0.85 P2RX3 (0.38) OPRK1PIK3CD
SCHEMBL2114289 0.84 MEN1 (0.35) OPRK1PIK3CDPIK3R1

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 KDM4E 3834/4885ALDH1A1 1059/4885PKM 530/4885

“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.