SCHEMBL3723632

SCHEMBL3723632

CN(C)CCCNC(=O)c1c[c]cnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.50
▸ KDM4E B2RXH2 6/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 4/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ NAMPT P43490 3/20 0.43
▸ FYN P06241 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL3723509 0.92 ALDH1A1 (0.46) HPGDKDM4ENPC1RAB9AL3MBTL1
SCHEMBL3730623 0.85 KDM4E (0.47) HPGDKDM4ERAB9AL3MBTL1POLB
SCHEMBL3348125 0.82 KDM4E (0.42) HPGDKDM4ENPC1RAB9APOLB
SCHEMBL2385706 0.78 HPGD (0.64) HPGDKDM4ENPC1RAB9AL3MBTL1
SCHEMBL3725252 0.77 GAA (0.39) KDM4EPOLBATMGAATHRB
SCHEMBL13778271 0.76 KDM4E (0.52) HPGDKDM4ENPC1RAB9AL3MBTL1
SCHEMBL3450897 0.76 KDM4E (0.38) KDM4ENPC1RAB9APOLBATM
SCHEMBL5555283 0.76 RAB9A (0.64) HPGDKDM4ENPC1RAB9AL3MBTL1
SCHEMBL4150303 0.76 LMNA (0.50) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL10020214 0.75 HPGD (0.79) HPGDKDM4ENPC1RAB9AL3MBTL1

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 HPGD 3872/4885KDM4E 448/4885NPC1 3268/4885

“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.

Send feedback