SCHEMBL4840069

SCHEMBL4840069

OB(O)c1ccc2nc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
RAD52 P43351 1/20 0.52
MMP12 P39900 1/20 0.49
HDAC6 Q9UBN7 1/20 0.47
CYP3A4 P08684 1/20 0.47
NAMPT P43490 1/20 0.47
XDH P47989 1/20 0.47
ENPP2 Q13822 2/20 0.47
QPCT Q16769 3/20 0.46
QPCTL Q9NXS2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL29951105 1.00 PRKCI (0.53) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL12488697 0.85 ENPP2 (0.44) PRKCIKDM4EMAPTRAD52MMP12
Hydrochloric Acid SCHEMBL29951513 0.83 ENPP2 (0.43) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL13086243 0.75 PARP1 (0.63) SMN1; SMN2
SCHEMBL25955980 0.75 ENPP2 (0.42) MAPTHDAC6ENPP2ALDH1A1HPGD
Phenylboronic Acid SCHEMBL28818194 0.74 CA4 (0.50) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL30024579 0.74 PRKCI (0.59) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL352026 0.74 PRKCI (0.59) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL8634290 0.73 QPCT (0.68) PRKCIKDM4EMAPTRAD52MMP12
Hydrochloric Acid SCHEMBL28102177 0.72 KDM4E (0.60) PRKCIKDM4EMAPTRAD52MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130280245-A1 3-Aryl-6-aryl-[1,2,4]triazolo[4,3-alpha]pyridines as Inhibitors of Cell Proliferation and the Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2013-10-24 US claimed
US-20220119399-A1 COMPOUNDS AND COMPOSITIONS THAT CAUSE MYCN AND/OR CMYC DEGRADATION AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-04-21 US disclosed
US-20200369665-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR Ryvu Therapeutics S.A. (PL) 2020-11-26 US disclosed
EP-3645536-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR Ryvu Therapeutics S.A. (PL) 2020-05-06 EP disclosed
CN-110809577-A Modulators of adenosine A2A receptor 雷沃医疗有限公司 2020-02-18 CN disclosed
WO-2019002606-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR SELVITA S.A. (PL) 2019-01-03 WO disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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 (7 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PRKCI 3041/4885KDM4E 4221/4885MAPT 1627/4885
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 PRKCI 296/4885KDM4E 2781/4885MAPT 1235/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PRKCI 3041/4885KDM4E 4221/4885MAPT 1627/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PRKCI 3041/4885KDM4E 4221/4885MAPT 1627/4885
US-20220119399-A1 COMPOUNDS AND COMPOSITIONS THAT CAUSE MYCN AND/OR CMYC DEGRADATION AND METHODS OF USE THEREOF MYC, MYCBP, MYCBP2 PRKCI 386/4885KDM4E 1796/4885MAPT 1899/4885
US-20130280245-A1 3-Aryl-6-aryl-[1,2,4]triazolo[4,3-alpha]pyridines as Inhibitors of Cell Proliferation and the Use Thereof MKI67, CCNI, CCNA1 PRKCI 3538/4885KDM4E 1995/4885MAPT 3779/4885
US-20200369665-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 PRKCI 1392/4885KDM4E 4607/4885MAPT 1802/4885

“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.