SCHEMBL30879404

SCHEMBL30879404

Cc1cc(N)ccc1Oc1ccc2nonc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.36
BCHE P06276 3/20 0.36
MAPT P10636 4/20 0.35
POLB P06746 3/20 0.35
NPC1 O15118 2/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 5/20 0.35
ENPP2 Q13822 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 4/20 0.35
GPR55 Q9Y2T6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 3/20 0.34
PKM P14618 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
THRB P10828 2/20 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
SCHEMBL24997038 1.00 ACHE (0.36) ACHEBCHEMAPTPOLBNPC1
SCHEMBL24168318 0.81 KDM4E (0.40) ACHEBCHEMAPTPOLBNPC1
SCHEMBL24173492 0.79 PTPN11 (0.54) ACHEBCHEMAPTPOLBNPC1
SCHEMBL30050513 0.79 PTPN11 (0.54) ACHEBCHEMAPTPOLBNPC1
SCHEMBL24173764 0.79 DYRK1A (0.36) ACHEBCHEMAPTPOLBHTR2A
SCHEMBL24809161 0.79 ACHE (0.34) ACHEBCHEMAPTPOLBNPC1
SCHEMBL2992329 0.79 ALDH1A1 (0.52) MAPTPOLBNPC1HTR2ASLC6A4
SCHEMBL1155719 0.77 ALDH1A1 (0.55) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL3003478 0.77 ALDH1A1 (0.55) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL31457276 0.77 ALDH1A1 (0.55) MAPTPOLBNPC1RAB9AALDH1A1

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 ACHE 4666/4885BCHE 2624/4885MAPT 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.