SCHEMBL21929421

SCHEMBL21929421

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
KDM4E B2RXH2 6/20 0.44
GLA P06280 2/20 0.44
ATM Q13315 2/20 0.44
ALDH1A1 P00352 5/20 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
SCHEMBL3766521 0.81 BAZ2B (0.50) ALDH1A1GAAMEN1KMT2AGPR35
SCHEMBL261112 0.78 GABRA1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2148753 0.78 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16453472 0.76 CA12 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2518047 0.76 BAZ2B (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL162674 0.76 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14791060 0.76 GABRA1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5423972 0.76 GABRA1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1075092 0.75 CSF1R (0.41) ALDH1A1MAPTGPR35CSF1RCA1
SCHEMBL12681822 0.75 ALOX15 (0.51) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 GABRP 663/4885GABRD 1679/4885GABRA1 1521/4885
US-20200157110-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREOF AND USES THEREOF PIK3R5, JAK2, PIK3C3 GABRP 663/4885GABRD 1679/4885GABRA1 1521/4885

“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.