SCHEMBL3843249

SCHEMBL3843249

CCn1nc(C(C)(C)C)cc1N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GRN P28799 4/20 0.37
SORT1 Q99523 4/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
Oxalic Acid SCHEMBL1013112 0.90 GRN (0.44) KDM4EGRNSORT1CNR1CNR2
SCHEMBL283910 0.85 KDM4E (0.44) KDM4EGRNSORT1ADORA2AADORA2B
SCHEMBL16564299 0.82 MPO (0.42) KDM4EADORA2AADORA2BPOLBALDH1A1
SCHEMBL282922 0.82 CNR1 (0.49) KDM4EGRNSORT1CNR1CNR2
SCHEMBL284028 0.80 CNR1 (0.55) KDM4ECNR1CNR2
SCHEMBL1924672 0.79 KDM4E (0.42) KDM4EGRNSORT1CNR1CNR2
SCHEMBL15069908 0.79 KDM4E (0.42) KDM4EGRNSORT1CNR1CNR2
Hydrochloric Acid SCHEMBL1011856 0.78 KDM4E (0.41) KDM4EGRNSORT1CNR1CNR2
SCHEMBL22505758 0.78 KDM4E (0.41) KDM4EGRNSORT1CNR1CNR2
SCHEMBL283439 0.78 KDM4E (0.41) KDM4EGRNSORT1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800741-B2 Quinoline compound, preparation method and medical use therefor ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-10-13 US disclosed
CN-110049969-A Quinolines, preparation method and its medical usage 恩瑞生物医药科技(上海)有限公司 2019-07-23 CN disclosed
EP-3004098-B1 KINASE INHIBITORS CHIESI FARM SPA (IT) 2017-08-09 EP disclosed
US-9403815-B2 Compounds and uses thereof in modulating levels of various amyloid beta peptide alloforms THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-02 US disclosed
US-9403815-B2 Compounds and uses thereof in modulating levels of various amyloid beta peptide alloforms THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-02 US disclosed
US-9403815-B2 Compounds and uses thereof in modulating levels of various amyloid beta peptide alloforms THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-02 US disclosed
US-9359354-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-07 US disclosed
EP-3004098-A1 KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2016-04-13 EP disclosed
US-20140364411-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 US disclosed
WO-2014195400-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 WO disclosed
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-06-27 US disclosed
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-06-27 US disclosed
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-06-27 US disclosed
EP-2585455-A2 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS The Regents of The University of California (US) 2013-05-01 EP disclosed
WO-2011163636-A2 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-29 WO disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
EP-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP 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 (3 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-20140364411-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 KDM4E 4675/4885GRN 3926/4885SORT1 4558/4885
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS IAPP, APP, BACE1 KDM4E 4398/4885GRN 36/4885SORT1 188/4885
US-10800741-B2 Quinoline compound, preparation method and medical use therefor WEE2, WEE1, HASPIN KDM4E 3145/4885GRN 4744/4885SORT1 4418/4885

“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.