SCHEMBL18398024

SCHEMBL18398024

CNc1cc(-c2cccc(C#N)c2)ncn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.64
CYP2C19 P33261 10/20 0.64
CLK4 Q9HAZ1 9/20 0.64
ALDH1A1 P00352 8/20 0.64
HSD17B10 Q99714 7/20 0.64
MAPK1 P28482 4/20 0.64
USP2 O75604 3/20 0.64
CYP3A4 P08684 8/20 0.62
CYP2D6 P10635 5/20 0.62
TSHR P16473 3/20 0.62
HPGD P15428 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPT P10636 1/20 0.62
ALOX15 P16050 3/20 0.59
LMNA P02545 1/20 0.59
GLA P06280 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GRM5 P41594 2/20 0.58
LRRK2 Q5S007 2/20 0.53
MEN1 O00255 1/20 0.49

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
SCHEMBL18398007 0.83 FAAH (0.54) CYP1A2CYP2C19CLK4ALDH1A1HSD17B10
SCHEMBL12331397 0.80 GRM5 (0.62) CYP1A2CYP2C19CLK4ALDH1A1HSD17B10
SCHEMBL23221384 0.79 CLK4 (0.54) CYP1A2CYP2C19CLK4ALDH1A1HSD17B10
SCHEMBL9792862 0.78 GRM5 (0.64) CYP1A2CYP2C19CLK4ALDH1A1HSD17B10
SCHEMBL23221369 0.78 GRM5 (0.52) CYP1A2CYP2C19CLK4ALDH1A1HSD17B10
SCHEMBL20816281 0.77 CYP1A2 (0.62) CYP1A2CYP2C19CLK4ALDH1A1HSD17B10
SCHEMBL15757631 0.77 XDH (0.51) CYP1A2CYP2C19CLK4ALDH1A1MAPK1
SCHEMBL18998665 0.77 GRM5 (0.62) CYP1A2CYP2C19CLK4ALDH1A1HSD17B10
SCHEMBL23221310 0.77 FAAH (0.55) CYP1A2CYP2C19CLK4ALDH1A1HSD17B10
SCHEMBL9792981 0.77 GRM5 (0.62) CYP1A2CYP2C19CLK4ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2022-06-28 US disclosed
US-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-09-16 US disclosed
EP-3523291-B1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-04-14 EP disclosed
US-10624897-B2 Chlorobenzene substituted azaaryl compounds TAIPEI MEDICAL UNIVERSITY (TW) 2020-04-21 US disclosed
US-10624897-B2 Chlorobenzene substituted azaaryl compounds TAIPEI MEDICAL UNIVERSITY (TW) 2020-04-21 US disclosed
US-20190083499-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2019-03-21 US disclosed
US-20190083499-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2019-03-21 US disclosed
EP-3324970-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS Taipei Medical University (TW) 2018-05-30 EP disclosed
WO-2017015400-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2017-01-26 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-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP28, USP1 CYP1A2 1592/4885CYP2C19 2271/4885CLK4 2870/4885
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 USP30, USP28, USP1 CYP1A2 1592/4885CYP2C19 2271/4885CLK4 2870/4885
US-10624897-B2 Chlorobenzene substituted azaaryl compounds MKI67, CTCF, CDKN1A CYP1A2 95/4885CYP2C19 623/4885CLK4 2558/4885
US-20190083499-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS MKI67, CTCF, CDKN1A CYP1A2 95/4885CYP2C19 623/4885CLK4 2558/4885

“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.