SCHEMBL989498

SCHEMBL989498

[c]1cc(-c2cccnc2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.60
CYP3A4 P08684 4/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 3/20 0.48
CYP2B6 P20813 3/20 0.48
CYP2C19 P33261 2/20 0.48
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MKNK1 Q9BUB5 4/20 0.44
MKNK2 Q9HBH9 4/20 0.44

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
SCHEMBL4907036 0.80 LMNA (0.35) LMNAMAPT
SCHEMBL988617 0.79 CYP2A6 (0.45) CYP2A6CYP3A4ALDH1A1CYP1A2LMNA
SCHEMBL121708 0.79 NOTUM (0.50) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2B6
SCHEMBL29419014 0.78 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL30473120 0.78 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL120088 0.78 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL16033234 0.76 MAPT (0.55) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL28247322 0.75 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
Benzene SCHEMBL27934930 0.75 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL4831090 0.75 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219452-B1 NOVEL 3,5-DISUBSTITUTED PYRIDINE AND 3,5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORP (JP) 2025-01-01 EP claimed
EP-3831812-B1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORP (JP) 2023-05-10 EP claimed
WO-2011008788-A1 FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF ZHANG DAWEI (US) 2011-01-20 WO claimed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
WO-2011008788-A1 FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF ZHANG DAWEI (US) 2011-01-20 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 (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-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 CYP2A6 1756/4885CYP3A4 572/4885ALDH1A1 1275/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 CYP2A6 1756/4885CYP3A4 572/4885ALDH1A1 1275/4885

“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.