SCHEMBL405373

SCHEMBL405373

CCOC(=O)c1cc(C#N)c(C)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
MAPT P10636 7/20 0.57
KMT2A Q03164 7/20 0.57
MEN1 O00255 4/20 0.57
RXFP1 Q9HBX9 1/20 0.57
KDM4E B2RXH2 11/20 0.48
GLA P06280 2/20 0.48
ATM Q13315 2/20 0.48
HPGD P15428 4/20 0.47
LMNA P02545 4/20 0.47
HSD17B10 Q99714 3/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPC1 O15118 2/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL21873308 0.84 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL3282391 0.78 DAO (0.50) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL2150729 0.78 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL29813016 0.77 KDM4E (0.50) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL23147759 0.77 KDM4E (0.50) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL14327075 0.76 KDM4E (0.47) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL5077719 0.76 KDM4E (0.47) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL14270035 0.76 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL11647465 0.76 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL15506641 0.76 KDM4E (0.49) ALDH1A1MAPTKMT2AMEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869371-B 7-substituted pyrrolotriazine compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国科学院上海药物研究所 2022-04-15 CN disclosed
US-11214572-B2 7-site substituted pyrrole triazine compounds or pharmaceutically acceptable salts thereof, and preparation method thereof and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-01-04 US disclosed
US-11214572-B2 7-site substituted pyrrole triazine compounds or pharmaceutically acceptable salts thereof, and preparation method thereof and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-01-04 US disclosed
EP-3643717-B1 7-SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREFOR AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-06-02 EP disclosed
EP-3643717-B1 7-SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREFOR AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-06-02 EP disclosed
US-20200157110-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREOF AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-05-21 US disclosed
US-20200157110-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREOF AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-05-21 US disclosed
EP-3643717-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-04-29 EP disclosed
EP-3643717-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-04-29 EP disclosed
CN-110869371-A 7-substituted pyrrolotriazine compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国科学院上海药物研究所 2020-03-06 CN disclosed
EP-2158199-A1 PIPERIDINE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2010-03-03 EP disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 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 (4 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 ALDH1A1 976/4885MAPT 3699/4885KMT2A 4730/4885
US-11214572-B2 7-site substituted pyrrole triazine compounds or pharmaceutically acceptable salts thereof, and preparation method thereof and uses thereof PIK3R5, JAK2, PIK3C3 ALDH1A1 3201/4885MAPT 4743/4885KMT2A 2626/4885
US-20200157110-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREOF AND USES THEREOF PIK3R5, JAK2, PIK3C3 ALDH1A1 3201/4885MAPT 4743/4885KMT2A 2626/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR ALDH1A1 243/4885MAPT 2837/4885KMT2A 3382/4885

“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.