SCHEMBL30879425

SCHEMBL30879425

O=[N+]([O-])c1ccc(Oc2ccc3ncnn3c2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.55
MAPT P10636 8/20 0.48
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GPR55 Q9Y2T6 1/20 0.43
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL24996637 0.86 ALDH1A1 (0.40) PDE7AMAPTALDH1A1KMT2AMEN1
SCHEMBL24569945 0.84 PDE7A (0.52) PDE7AMAPTALDH1A1KMT2AMEN1
SCHEMBL29834731 0.84 PDE7A (0.52) PDE7AMAPTALDH1A1KMT2AMEN1
SCHEMBL24168260 0.82 HSPB1 (0.47) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL3484788 0.80 PDE7A (0.56) PDE7AMAPTALDH1A1KMT2AMEN1
SCHEMBL24995754 0.79 DYRK1A (0.42) PDE7AKMT2AMEN1KDM4ENPC1
SCHEMBL12524904 0.79 SCN5A (0.39) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2967458 0.74 PDE7A (0.78) PDE7AMAPTALDH1A1KMT2AMEN1
SCHEMBL5566489 0.73 PDE7A (0.56) PDE7AMAPTALDH1A1KMT2AMEN1
SCHEMBL11511746 0.73 PDE7A (0.71) PDE7AMAPTALDH1A1KMT2AMEN1

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 PDE7A 2287/4885MAPT 1775/4885ALDH1A1 3526/4885

“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.