SCHEMBL16640304

SCHEMBL16640304

CCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3)n(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.78
EPHX2 P34913 2/20 0.78
PTGS2 P35354 2/20 0.78
MGLL Q99685 7/20 0.57
ALOX5 P09917 1/20 0.57
DPP4 P27487 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.51
KDM1A O60341 1/20 0.51
USP2 O75604 1/20 0.51
ATM Q13315 1/20 0.51
CHRNA7 P36544 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL15004253 0.92 PTGS2 (0.66) PTGS1EPHX2PTGS2MGLLALOX5
SCHEMBL16640306 0.90 PTGS2 (0.65) PTGS1EPHX2PTGS2MGLLALOX5
SCHEMBL2917927 0.85 PTGS2 (0.59) PTGS1EPHX2PTGS2MGLLALOX5
SCHEMBL16640302 0.81 PTGS2 (0.64) PTGS1EPHX2PTGS2MGLLALOX5
SCHEMBL2916474 0.76 KDM4E (0.50) PTGS1EPHX2PTGS2KMT2AKDM4E
SCHEMBL2921273 0.75 MGLL (0.51) PTGS1EPHX2PTGS2MGLLMEN1
SCHEMBL16640308 0.74 KDM1A (0.51) PTGS1EPHX2PTGS2MGLLMEN1
SCHEMBL3339277 0.74 TSHR (0.67) KMT2AKDM4EATMNPC1
SCHEMBL3144076 0.73 HTR2A (0.67) PTGS2MGLLMEN1KMT2A
SCHEMBL1514409 0.72 KMT2A (1.00) MEN1KMT2AATM

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-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2015-04-16 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-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF PAICS, AADAC, TPMT PTGS1 3956/4885EPHX2 2034/4885PTGS2 3350/4885

“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.