SCHEMBL15535335

SCHEMBL15535335

Clc1cc(C2CCOCC2)cc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
PDE4D Q08499 1/20 0.35
DAO P14920 1/20 0.35
MAPK1 P28482 1/20 0.34
PRKAB2 O43741 3/20 0.34
PRKAG1 P54619 3/20 0.34
PRKAA2 P54646 3/20 0.34
PRKAA1 Q13131 3/20 0.34
PRKAG3 Q9UGI9 3/20 0.34
PRKAG2 Q9UGJ0 3/20 0.34
PRKAB1 Q9Y478 3/20 0.34
SERPINE1 P05121 1/20 0.34
HTR1D P28221 1/20 0.33
SLC2A1 P11166 1/20 0.33
PDE2A O00408 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL13738363 0.84 PDE10A (0.34)
SCHEMBL27083544 0.81 MTOR (0.35) KMT2APDE4DDAOMAPK1PRKAB2
SCHEMBL16216909 0.80 BACE1 (0.34) CYP2D6
SCHEMBL855517 0.79 PIK3CA (0.38) KMT2AKDM5BCYP1A2CYP2D6MAPT
SCHEMBL25344301 0.78 IDH1 (0.32) CYP1A2CYP2D6MAPT
SCHEMBL16573747 0.78 BACE1 (0.41) KMT2ACYP2D6MAPT
SCHEMBL28291336 0.76 MAPT (0.56) KMT2ACYP1A2CYP2D6MAPTMAPK1
SCHEMBL15602523 0.75 SLC18A3 (0.47) KMT2ACYP1A2MAPT
SCHEMBL24157002 0.75 DAO (0.35) KDM5BDAOPRKAB2PRKAG1PRKAA2
SCHEMBL16220098 0.75 KDM5B (0.40) KMT2AKDM5BCYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852584-B1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
EP-2852584-B1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 US disclosed
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 US disclosed
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 US disclosed
EP-2852584-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2015-04-01 EP disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 US disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 US disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 US disclosed
WO-2013174780-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 WO disclosed
WO-2013174780-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 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-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF PDXK, PRMT1, DMPK KMT2A 711/4885KDM5B 456/4885CYP1A2 3206/4885

“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.