SCHEMBL3029286

SCHEMBL3029286

COCCNC(=O)c1c[c]ncc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.49
NAMPT P43490 1/20 0.45
LOXL2 Q9Y4K0 3/20 0.44
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
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LOX P28300 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 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
SCHEMBL3040724 0.83 NAAA (0.41) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8488280 0.79 NAMPT (0.64) HPGDALDH1A1NAMPTNPC1RAB9A
SCHEMBL3029967 0.76 HPGD (0.50) HPGDALDH1A1NAMPTLOXL2NPC1
SCHEMBL1031249 0.75 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL1499143 0.75 HDAC8 (0.44) HPGDALDH1A1SMN1; SMN2TSHRHDAC6
SCHEMBL1416098 0.74 HPGD (0.59) HPGDALDH1A1LOXL2NPC1RAB9A
SCHEMBL5592700 0.73 HDAC6 (0.44) ALDH1A1HDAC6
SCHEMBL7371434 0.73 ROCK2 (0.55) HPGDRAB9ASMN1; SMN2TSHRL3MBTL1
SCHEMBL17689058 0.73 HPGD (0.56) HPGDALDH1A1LOXL2NPC1RAB9A
Lufironil SCHEMBL344625 0.73 HPGD (0.56) HPGDALDH1A1LOXL2TP53KMT2A

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 1 patent. 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

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 948/4885NAMPT 380/4885

“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.