SCHEMBL4797277

SCHEMBL4797277

O=C(NCc1ccccc1)Nc1cc[c]cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.62
RAB9A P51151 5/20 0.62
POLB P06746 1/20 0.62
MAOB P27338 1/20 0.62
HTT P42858 1/20 0.62
MEN1 O00255 1/20 0.62
TP53 P04637 1/20 0.62
HPGD P15428 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPT P10636 2/20 0.61
CA2 P00918 3/20 0.60
CA1 P00915 2/20 0.60
ROCK2 O75116 2/20 0.60
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
ROCK1 Q13464 1/20 0.60
PTPN1 P18031 1/20 0.58
RORC P51449 1/20 0.56
NAMPT P43490 1/20 0.56

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
SCHEMBL5852223 0.93 NPC1 (0.67) NPC1RAB9APOLBMAOBHTT
SCHEMBL2831462 0.88 NPC1 (0.77) NPC1RAB9APOLBMAOBHTT
SCHEMBL27475656 0.84 CNR1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4713445 0.84 HTT (0.72) HTTROCK2ROCK1NAMPT
SCHEMBL4798336 0.83 NPC1 (0.57) NPC1RAB9APOLBMAOBHTT
SCHEMBL20804368 0.82 NPC1 (0.65) NPC1RAB9APOLBMAOBHTT
SCHEMBL4717429 0.82 KMT2A (0.71) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL14025738 0.81 NPC1 (0.73) NPC1RAB9APOLBMAOBHTT
SCHEMBL10133206 0.81 ROCK2 (0.80) NPC1RAB9APOLBMAOBHTT
SCHEMBL22588922 0.81 NPC1 (0.68) NPC1RAB9APOLBMAOBHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
CN-1688579-A Condensed pyridines and pyrimidines with TIE2 (TEK) activity ASTRAZENECA AB (SE) 2005-10-26 CN disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR NPC1 4851/4885RAB9A 4563/4885POLB 2871/4885

“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.