SCHEMBL4802830

SCHEMBL4802830

[CH2]CNC(=O)COc1cccnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.48
▸ RAB9A P51151 4/20 0.46
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ POLB P06746 3/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PKM P14618 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NOTUM Q6P988 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL15517101 0.82 MAPT (0.65) NPSR1RAB9AMAPTPKMALDH1A1
SCHEMBL30680090 0.78 PTGDR2 (0.53) HPGDPOLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL16741104 0.78 PTGDR2 (0.53) HPGDPOLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL15517314 0.77 LMNA (0.53) RAB9AMAPTPKMALDH1A1HTT
SCHEMBL1969238 0.72 USP2 (0.51) NPSR1RAB9AMAPTHPGDALDH1A1
SCHEMBL30454309 0.72 USP2 (0.51) NPSR1RAB9AMAPTHPGDALDH1A1
SCHEMBL13603914 0.71 CHRNB2 (0.40) NPSR1RAB9AMAPTPOLBTDP1
SCHEMBL29340718 0.70 NOTUM (0.41) MAPTPKMSMN1; SMN2NOTUMLMNA
SCHEMBL12699777 0.70 MAPT (0.54) RAB9AMAPTHPGDPOLBNPC1
SCHEMBL3368808 0.69 KMT2A (0.67) RAB9AHPGDPOLBPKMALDH1A1

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
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 — — EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 — — US 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 NPSR1 1614/4885RAB9A 4563/4885MAPT 3034/4885

“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.

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