SCHEMBL3730623

SCHEMBL3730623

O=C(NCCCO)c1c[c]cnc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.47
▸ ATM Q13315 1/20 0.47
▸ POLB P06746 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ EPHX2 P34913 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NTRK2 Q16620 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ PHF13 Q86YI8 1/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDR P35968 1/20 0.38

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
SCHEMBL3348125 0.90 KDM4E (0.42) KDM4EATMPOLBGAAEPHX2
SCHEMBL3723632 0.85 HPGD (0.50) KDM4EATMPOLBGAAALDH1A1
SCHEMBL3723509 0.79 ALDH1A1 (0.46) KDM4EATMGAAALDH1A1HPGD
SCHEMBL3725252 0.79 GAA (0.39) KDM4EATMPOLBGAANAAA
SCHEMBL3450897 0.78 KDM4E (0.38) KDM4EATMPOLBGAAEPHX2
SCHEMBL4351637 0.75 POLB (0.54) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL3514768 0.73 THRB (0.71) EPHX2ALDH1A1HSD17B10RAB9A
SCHEMBL3448625 0.73 MKNK1 (0.40) KDM4EALDH1A1HPGD
SCHEMBL3350984 0.73 SMN1; SMN2 (0.58) HPGDRAB9AL3MBTL1
SCHEMBL6393265 0.72 POLB (0.67) KDM4EATMPOLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US claimed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 — — EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 — — WO claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 KDM4E 448/4885ATM 1420/4885POLB 2234/4885

“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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