SCHEMBL899555

SCHEMBL899555

Cc1cc(O)c2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
GAK O14976 1/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.40
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
SORT1 Q99523 1/20 0.39
SLC6A2 P23975 1/20 0.38
P2RY14 Q15391 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PKM P14618 1/20 0.38
DYRK1A Q13627 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL9494192 0.87 GAK (0.50) KDM4EGAKSORT1CYP1A2
SCHEMBL14842574 0.83 KDM4E (0.50) KDM4EPARP1F7F3SLC6A2
SCHEMBL11133397 0.81 KDM4E (0.49) KDM4EPARP1F7F3SLC6A2
SCHEMBL900362 0.80 MAPT (0.51) KDM4EGAKPOLBPARP1F7
SCHEMBL3911390 0.79 KDM4E (0.50) KDM4EPARP1F7F3PKM
SCHEMBL27903222 0.78 KDM4E (0.49) KDM4EPOLBPARP1F7F3
SCHEMBL19250215 0.78 KDM4E (0.45) KDM4EPARP1F7F3SLC6A2
SCHEMBL27845948 0.78 KDM4E (0.45) KDM4EPARP1F7F3SLC6A2
SCHEMBL3267043 0.77 MPO (0.46) KDM4EPOLB
SCHEMBL6593684 0.77 CYP1A2 (0.50) KDM4EPOLBL3MBTL1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO 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-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS KDM4E 3083/4885GAK 2034/4885POLB 2010/4885

“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.