SCHEMBL3039740

SCHEMBL3039740

COCCNC(=O)c1ccc[c]n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.52
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KMT2A Q03164 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
SCHEMBL3042266 0.83 KMT2A (0.41) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL13116574 0.79 HPGD (0.68) HPGDALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL2880292 0.78 MEN1 (0.37) HPGDRAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL12471307 0.75 BRD4 (0.42) HPGDALDH1A1RAB9ATP53CYP1A2
SCHEMBL128329 0.75 MAPK1 (0.42) ALDH1A1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL27719491 0.75 ALDH1A1 (0.69) HPGDALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL30265358 0.75 ALDH1A1 (0.69) HPGDALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL9263348 0.74 MMP13 (0.56) HPGDALDH1A1SMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL29898813 0.74 ALDH1A1 (0.68) HPGDALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL29289764 0.74 HPGD (0.61) HPGDALDH1A1RAB9ASMN1; SMN2TP53

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 948/4885RAB9A 637/4885

“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.