SCHEMBL3029967

SCHEMBL3029967

COCCNC(=O)c1cc[c]nc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.44
NAMPT P43490 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK1 P28482 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
SCHEMBL23036848 0.81 CA9 (0.41) HPGDKMT2AMEN1TP53KDM4E
SCHEMBL6152912 0.79 NAAA (0.58) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL1416011 0.79 HPGD (0.61) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL5423126 0.77 KDM4E (0.68) HPGDALDH1A1KMT2AMEN1CYP1A2
SCHEMBL23036854 0.77 KMT2A (0.53) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL2349631 0.77 CTSK (0.41) NAMPTKDM4E
SCHEMBL3029286 0.76 HPGD (0.50) HPGDALDH1A1KMT2AMEN1CYP1A2
SCHEMBL668428 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1LOXL2MAPK1
SCHEMBL958568 0.75 PLK1 (0.44) HPGDSMN1; SMN2HDAC6
SCHEMBL21466176 0.74 NAMPT (0.39) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 WO 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF HPGD 1183/4885ALDH1A1 948/4885KMT2A 2325/4885

“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.