SCHEMBL3723509

SCHEMBL3723509

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ USP2 O75604 1/20 0.45
▸ NAMPT P43490 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SETD7 Q8WTS6 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL3723632 0.92 HPGD (0.50) ALDH1A1NAMPTHPGDKDM4EGAA
SCHEMBL3348125 0.81 KDM4E (0.42) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL30635515 0.80 ALDH1A1 (0.51) ALDH1A1USP2NAMPTHPGDKDM4E
SCHEMBL3725252 0.80 GAA (0.39) KDM4EGAAATM
SCHEMBL3730623 0.79 KDM4E (0.47) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL3450897 0.78 KDM4E (0.38) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL395691 0.76 ALDH1A1 (0.59) ALDH1A1USP2NAMPTHPGDKDM4E
SCHEMBL13778268 0.75 SMN1; SMN2 (0.51) ALDH1A1USP2NAMPTHPGDKDM4E
SCHEMBL1455901 0.75 ALDH1A1 (0.50) ALDH1A1USP2HPGDKDM4ELMNA
SCHEMBL29811176 0.75 THRB (0.62) ALDH1A1USP2HSD17B10SMN1; SMN2HDAC1

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 ALDH1A1 889/4885USP2 4255/4885NAMPT 3303/4885

“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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