SCHEMBL7756916

SCHEMBL7756916

Cc1cc2ccccc2n1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TP53 P04637 3/20 0.42
SLC6A2 P23975 2/20 0.41
KMT2A Q03164 8/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 6/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
DAO P14920 1/20 0.35

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
SCHEMBL20224588 0.81 DHFR (0.45) KDM4ETP53SLC6A2KMT2ATSHR
SCHEMBL15175611 0.80 KDM4E (0.47) KDM4ETP53KMT2ATSHRMEN1
SCHEMBL15174746 0.80 TP53 (0.43) KDM4ETP53SLC6A2KMT2ATSHR
SCHEMBL19930272 0.80 KDM4E (0.40) KDM4ETP53SLC6A2KMT2ATSHR
SCHEMBL16863757 0.78 TP53 (0.40) KDM4ETP53SLC6A2KMT2ATSHR
SCHEMBL26596972 0.78 KMT2A (0.36) KDM4ETP53KMT2AMEN1MAPT
SCHEMBL7638728 0.78 HDAC10 (0.40) KDM4ETP53KMT2AMEN1MAPT
SCHEMBL16452868 0.78 CYP2A6 (0.41) KDM4ETP53KMT2AMEN1MAPT
SCHEMBL16345407 0.77 KDM4E (0.39) KDM4ETP53SLC6A2KMT2ATSHR
SCHEMBL14929532 0.75 KMT2A (0.59) KDM4EKMT2AMEN1MAPTALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919914-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-02-16 US disclosed
WO-2020123670-A1 SMALL MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR ACTIVITY AND/OR EXPRESSION AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-06-18 WO disclosed
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2020-02-25 US disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-05-09 US disclosed
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2018-07-31 US disclosed
CN-107406431-A Indole derivatives and preparation method thereof and its purposes in medicine 浙江海正药业股份有限公司 2017-11-28 CN disclosed
US-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) LG CHEM, LTD. (KR) 2017-10-05 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-9409938-B2 Tungsten oxo alkylidene complexes for Zselective olefin metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-08-09 US disclosed
US-20160009746-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-01-14 US disclosed
US-9085595-B2 Tungsten oxo alkylidene complexes for Z selective olefin metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-21 US disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
US-20130116434-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2013-05-09 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
CN-102272128-A Modulators of atp-binding cassette transporters 2011-12-07 CN disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 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 (10 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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A KDM4E 2347/4885TP53 3634/4885SLC6A2 974/4885
US-10919914-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885TP53 544/4885SLC6A2 4761/4885
US-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) PER2, CRY1, CRY2 KDM4E 1594/4885TP53 4455/4885SLC6A2 2647/4885
US-20130116434-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS SOD1, ZRANB2, ZCCHC8 KDM4E 4640/4885TP53 3118/4885SLC6A2 1934/4885
US-20160009746-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS SOD1, ZRANB2, ZCCHC8 KDM4E 4640/4885TP53 3118/4885SLC6A2 1934/4885
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885TP53 544/4885SLC6A2 4761/4885
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 KDM4E 3087/4885TP53 3372/4885SLC6A2 4020/4885
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 KDM4E 249/4885TP53 794/4885SLC6A2 4845/4885
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same NPM1, PER2, CRY1 KDM4E 1641/4885TP53 3877/4885SLC6A2 2232/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A KDM4E 2437/4885TP53 3598/4885SLC6A2 879/4885

“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.