SCHEMBL12413787

SCHEMBL12413787

CC(C)Cc1ccc(-c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.61
MKNK2 Q9HBH9 4/20 0.61
CYP2A6 P11509 3/20 0.61
CYP3A4 P08684 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
KIF11 P52732 1/20 0.51
RAB9A P51151 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP11B2 P19099 1/20 0.47
EPHX2 P34913 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
BRS3 P32247 1/20 0.45
KDR P35968 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL23514716 0.88 CYP2A6 (0.59) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL8340357 0.86 CYP2A6 (0.57) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL13878057 0.86 CYP2A6 (0.67) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL13003924 0.85 MKNK1 (0.56) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL10035334 0.85 MKNK1 (0.49) MKNK1MKNK2CYP2A6CYP3A4CYP19A1
SCHEMBL14732763 0.83 EPHX2 (0.62) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL10035322 0.83 MKNK1 (0.47) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL10035347 0.83 MKNK1 (0.47) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL23919252 0.82 CYP2A6 (0.53) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL24867289 0.82 GPR55 (0.50) MKNK1MKNK2CYP2A6RAB9ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 US disclosed
US-20210315876-A1 METHODS FOR REVERSING HIV LATENCY USING BAF COMPLEX MODULATING COMPOUNDS PURDUE RESEARCH FOUNDATION 2021-10-14 US disclosed
EP-3380471-B1 TETRAHYDRO-8H-PYRIDO[1,2-A]PYRAZINE-8-ONES AS COMT INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS LIEBER INST INC DBA LIEBER INST FOR BRAIN DEVELOPMENT (US) 2021-09-08 EP disclosed
US-20210139479-A1 COMT Inhibiting Methods and Compositions LIEBER INST INC (US) 2021-05-13 US disclosed
US-10934283-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE, INC. (US) 2021-03-02 US disclosed
US-20200255416-A1 BAF Complex Modulating Compounds and Methods of Using the Same THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY 2020-08-13 US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 US disclosed
US-9802904-B2 Inhibitors of the USP1/UAF1 deubiquitinase complex and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-31 US disclosed
US-9802904-B2 Inhibitors of the USP1/UAF1 deubiquitinase complex and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-31 US disclosed
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2015-12-03 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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 (9 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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 MKNK1 284/4885MKNK2 219/4885CYP2A6 3670/4885
US-20210139479-A1 COMT Inhibiting Methods and Compositions COMT, PNMT, HNMT MKNK1 1977/4885MKNK2 1954/4885CYP2A6 178/4885
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF USP1, UHRF1, UBQLN1 MKNK1 2355/4885MKNK2 2451/4885CYP2A6 2859/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 MKNK1 3457/4885MKNK2 3802/4885CYP2A6 150/4885
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 MKNK1 1254/4885MKNK2 2138/4885CYP2A6 682/4885
US-20210315876-A1 METHODS FOR REVERSING HIV LATENCY USING BAF COMPLEX MODULATING COMPOUNDS CHD1L, SMARCC1, CHD1 MKNK1 2135/4885MKNK2 2769/4885CYP2A6 3991/4885
US-10934283-B2 COMT inhibiting methods and compositions COMT, MAOB, MAOA MKNK1 2166/4885MKNK2 1784/4885CYP2A6 92/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 MKNK1 4445/4885MKNK2 4492/4885CYP2A6 58/4885
US-20200255416-A1 BAF Complex Modulating Compounds and Methods of Using the Same SMARCC1, SMARCC2, ATRIP MKNK1 725/4885MKNK2 864/4885CYP2A6 3989/4885

“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.