SCHEMBL13812977

SCHEMBL13812977

CSc1ncc(C)c(NC2CCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.51
GABBR1 Q9UBS5 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MERTK Q12866 1/20 0.46
CHRM3 P20309 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ADORA1 P30542 1/20 0.39
JAK3 P52333 2/20 0.38
TTK P33981 1/20 0.38
JAK2 O60674 1/20 0.38
HPGDS O60760 2/20 0.38
EGFR P00533 2/20 0.38

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
SCHEMBL29991645 0.83 KMT2A (0.50) GABBR2GABBR1KMT2AMEN1CYP1A2
SCHEMBL4065318 0.83 KMT2A (0.50) GABBR2GABBR1KMT2AMEN1CYP1A2
SCHEMBL13812973 0.83 KMT2A (0.50) GABBR2GABBR1KMT2AMEN1CYP1A2
SCHEMBL27225170 0.82 KMT2A (0.49) GABBR2GABBR1KMT2AMEN1CYP1A2
SCHEMBL22184593 0.81 KMT2A (0.51) GABBR2GABBR1KMT2AMEN1CYP1A2
SCHEMBL574174 0.81 KMT2A (0.51) GABBR2GABBR1KMT2AMEN1CYP1A2
SCHEMBL24496115 0.80 KMT2A (0.47) GABBR2GABBR1KMT2AMEN1CYP1A2
SCHEMBL22184570 0.80 KMT2A (0.47) GABBR2GABBR1KMT2AMEN1CYP1A2
SCHEMBL6944883 0.80 KMT2A (0.47) GABBR2GABBR1KMT2AMEN1CYP1A2
SCHEMBL4712427 0.80 KMT2A (0.50) GABBR2GABBR1KMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124464-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2024-04-18 US disclosed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 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 (1 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-20240124464-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF NUAK1, NUAK2, NEK11 GABBR2 4200/4885GABBR1 4278/4885KMT2A 897/4885

“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.