SCHEMBL21873308

SCHEMBL21873308

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALOX15 P16050 2/20 0.49
KDM4E B2RXH2 10/20 0.46
GLA P06280 2/20 0.46
ATM Q13315 2/20 0.46
HSD17B10 Q99714 3/20 0.45
GAA P10253 3/20 0.45
TP53 P04637 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
HPGD P15428 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
LMNA P02545 4/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL405373 0.84 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL3282464 0.79 ALOX15 (0.55) ALDH1A1KMT2AMAPTMEN1ALOX15
SCHEMBL5080210 0.78 ALOX15 (0.54) ALDH1A1KMT2AMAPTMEN1ALOX15
SCHEMBL23147759 0.74 KDM4E (0.50) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL29813016 0.74 KDM4E (0.50) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL14327075 0.74 KDM4E (0.47) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL5077719 0.74 KDM4E (0.47) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL15506641 0.73 KDM4E (0.49) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL6514088 0.73 KDM4E (0.54) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL15506670 0.73 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTMEN1RXFP1

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 10 patents. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11214572-B2 7-site substituted pyrrole triazine compounds or pharmaceutically acceptable salts thereof, and preparation method thereof and uses thereof PIK3R5, JAK2, PIK3C3 ALDH1A1 3201/4885KMT2A 2626/4885MAPT 4743/4885
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 3201/4885KMT2A 2626/4885MAPT 4743/4885

“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.