SCHEMBL3035405

SCHEMBL3035405

NCCCNC(=O)c1cc[c]cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
NAAA Q02083 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL3030613 0.89 MAOB (0.62) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL14159023 0.87 CYP1A2 (0.63) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL4351637 0.84 POLB (0.54) ALDH1A1MAPK1NPC1RAB9ANAAA
SCHEMBL4158767 0.82 SMN1; SMN2 (0.62) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL1467538 0.81 NPC1 (0.66) MAPK8NPC1RAB9ANAAAHDAC3
SCHEMBL3317719 0.81 CYP1A2 (0.43) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL3523157 0.81 MAPK1 (0.61) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL4180665 0.81 NAAA (0.68) TSHRMEN1KMT2AALDH1A1MAPK1
SCHEMBL3034216 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1NPC1RAB9ANAAA
SCHEMBL9771650 0.81 MAPK1 (0.67) CYP1A2ALDH1A1MAPK8MAPK1NPC1

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 CYP1A2 1115/4885TSHR 2601/4885NFKB1 810/4885

“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.