SCHEMBL30879388

SCHEMBL30879388

Cc1cc(N)ccc1Oc1ccc2ncnn2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
SCN5A Q14524 2/20 0.39
JAK2 O60674 1/20 0.34
ERBB2 P04626 5/20 0.34
EGFR P00533 3/20 0.34
NQO2 P16083 1/20 0.34
FECH P22830 1/20 0.34
MYH14 Q7Z406 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
TGFBR1 P36897 2/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL1192681 1.00 DYRK1A (0.42) DYRK1ASCN5AJAK2ERBB2EGFR
SCHEMBL12524905 0.86 SCN5A (0.41) DYRK1ASCN5AERBB2EGFRNQO2
SCHEMBL24995754 0.84 DYRK1A (0.42) DYRK1ASCN5AJAK2ERBB2EGFR
SCHEMBL15703777 0.83 SCN5A (0.41) DYRK1ASCN5AERBB2EGFRNQO2
SCHEMBL31476000 0.83 DYRK1A (0.37) DYRK1AJAK2ERBB2EGFRNQO2
SCHEMBL1192195 0.82 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29414877 0.82 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL22076952 0.81 EGFR (0.39) SCN5AERBB2EGFRERBB3ERBB4
SCHEMBL23817338 0.81 KDM4E (0.39) SCN5AERBB2EGFRNQO2FECH
SCHEMBL12872522 0.80 ALDH1A1 (0.47) DYRK1ASCN5AALDH1A1MEN1MAPT

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-20240391931-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-11-28 US disclosed
CN-117980309-A Tricyclic fused pyrimidine compounds useful as HER2 inhibitors 百时美施贵宝公司 2024-05-03 CN 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-20240391931-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS ERBB2, ERBB3, EGFR DYRK1A 400/4885SCN5A 4504/4885JAK2 101/4885

“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.