SCHEMBL16640306

SCHEMBL16640306

CCOC(=O)C1CCN(C(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.65
PTGS1 P23219 2/20 0.65
EPHX2 P34913 2/20 0.65
USP2 O75604 1/20 0.57
ATM Q13315 1/20 0.57
GAA P10253 1/20 0.56
DPP4 P27487 1/20 0.53
ALOX5 P09917 1/20 0.47
MGLL Q99685 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM1A O60341 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
CHRNA7 P36544 1/20 0.45
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL16640302 0.91 PTGS2 (0.64) PTGS2PTGS1EPHX2USP2ATM
SCHEMBL16640304 0.90 PTGS1 (0.78) PTGS2PTGS1EPHX2USP2ATM
SCHEMBL15004253 0.90 PTGS2 (0.66) PTGS2PTGS1EPHX2USP2ATM
SCHEMBL16640308 0.86 KDM1A (0.51) PTGS2PTGS1EPHX2MGLLKDM1A
SCHEMBL16640299 0.82 MALT1 (0.58) PTGS2ATMMGLLKDM1ACHRNA7
SCHEMBL15004250 0.82 MGLL (0.59) PTGS2MGLLKDM1AKDM4E
SCHEMBL2917927 0.82 PTGS2 (0.59) PTGS2PTGS1EPHX2DPP4ALOX5
SCHEMBL16640298 0.82 MALT1 (0.57) PTGS2MGLLNPC1RAB9AKDM1A
SCHEMBL15004248 0.82 MALT1 (0.57) PTGS2MGLLNPC1RAB9AKDM1A
SCHEMBL16640309 0.80 PTGS2 (0.65) PTGS2MGLLNPC1RAB9A

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

“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.