SCHEMBL21597045

SCHEMBL21597045

Cc1nc2cc(F)cnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.37
ABL1 P00519 2/20 0.37
RET P07949 2/20 0.37
KDR P35968 2/20 0.37
CDK7 P50613 2/20 0.37
PRKAA1 Q13131 2/20 0.37
AURKB Q96GD4 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
TYMS P04818 1/20 0.37
SNCA P37840 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PARP1 P09874 1/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL7916579 0.80 CDK5 (0.42) CDK5ABL1RETKDRCDK7
SCHEMBL986294 0.77 ALDH1A1 (0.37) CDK5ABL1RETKDRCDK7
SCHEMBL12777923 0.77 SNCA (0.33) CDK5ABL1RETKDRCDK7
SCHEMBL12909162 0.77 TYMS (0.37) CDK5ABL1RETKDRCDK7
SCHEMBL1192302 0.77 SMN1; SMN2 (0.53) CDK5ABL1RETKDRCDK7
SCHEMBL31588150 0.77 SMN1; SMN2 (0.53) CDK5ABL1RETKDRCDK7
SCHEMBL10380796 0.77 ALDH1A1 (0.50) CDK5ABL1RETKDRCDK7
SCHEMBL12335638 0.77 POLB (0.42) CDK5ABL1RETKDRCDK7
SCHEMBL23839272 0.74 ABL1 (0.36) CDK5ABL1RETKDRCDK7
SCHEMBL19678267 0.74 ABL1 (0.36) CDK5ABL1RETKDRCDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-08-31 US disclosed
EP-3810136-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
US-20210115040-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-04-22 US disclosed
CN-112312908-A OGA inhibitor compounds 詹森药业有限公司 2021-02-02 CN disclosed
WO-2019243528-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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 (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-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CDK5 180/4885ABL1 4851/4885RET 4532/4885
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression UTRN, ZFX, CBX6 CDK5 510/4885ABL1 4273/4885RET 3333/4885

“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.