SCHEMBL30879451

SCHEMBL30879451

COc1ccc(Cn2ncc3cc(Oc4ccc([N+](=O)[O-])cc4C)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.45
DCTPP1 Q9H773 3/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPBWR1 P48145 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL30879415 0.92 DCTPP1 (0.45) DCTPP1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL20401101 0.88 GLS (0.57) GLSDCTPP1MAPTSMN1; SMN2KMT2A
SCHEMBL24996626 0.83 QPCT (0.46) DCTPP1KMT2AMEN1NPBWR1
SCHEMBL30879444 0.83 QPCT (0.46) DCTPP1KMT2AMEN1NPBWR1
SCHEMBL11002083 0.77 GLS (0.67) GLSMAPTKMT2AMEN1CNR1
SCHEMBL3376313 0.77 GLS (0.54) GLSMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4231911 0.76 ALDH1A1 (0.54) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL31357438 0.75 HTR2A (0.46) DCTPP1KMT2AMEN1NPBWR1
SCHEMBL24997051 0.75 HTR2A (0.46) DCTPP1KMT2AMEN1NPBWR1
SCHEMBL28899217 0.74 MAPT (0.52) MAPTSMN1; SMN2KMT2AMEN1NPBWR1

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 GLS 589/4885DCTPP1 328/4885MAPT 1775/4885

“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.