SCHEMBL30879415

SCHEMBL30879415

COc1ccc(Cn2ncc3ccc(Oc4ccc([N+](=O)[O-])cc4C)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.45
BRD4 O60885 1/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPBWR1 P48145 4/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.40
MCHR1 Q99705 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL30879451 0.92 GLS (0.45) DCTPP1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24997051 0.83 HTR2A (0.46) DCTPP1BRD4MEN1KMT2ANPBWR1
SCHEMBL31357438 0.83 HTR2A (0.46) DCTPP1BRD4MEN1KMT2ANPBWR1
SCHEMBL20401101 0.81 GLS (0.57) DCTPP1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28899217 0.77 MAPT (0.52) MAPTSMN1; SMN2MEN1KMT2ANPBWR1
SCHEMBL4231911 0.76 ALDH1A1 (0.54) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL24996626 0.75 QPCT (0.46) DCTPP1BRD4MEN1KMT2ANPBWR1
SCHEMBL30879444 0.75 QPCT (0.46) DCTPP1BRD4MEN1KMT2ANPBWR1
SCHEMBL27741405 0.74 MAPT (0.46) DCTPP1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9478940 0.74 NPC1 (0.50) DCTPP1MAPTSMN1; SMN2MEN1KMT2A

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 DCTPP1 328/4885BRD4 495/4885MAPT 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.