SCHEMBL3729792

SCHEMBL3729792

[c]1cncc(-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.42
MAPT P10636 6/20 0.41
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.41
RPS6KA3 P51812 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
CYP17A1 P05093 1/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL3730742 0.86 CHKA (0.43) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3728634 0.84 RPS6KA3 (0.46) MAPK10SMN1; SMN2ALDH1A1CYP1A2LMNA
SCHEMBL3728567 0.83 CHEK1 (0.52) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3518237 0.82 LMNA (0.42) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3724764 0.80 HRH3 (0.49) MAPTKDM4EALDH1A1TLR9TGFBR1
SCHEMBL4161690 0.80 HRH3 (0.64) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4173599 0.77 CHEK1 (0.33) RAB9ACYP17A1CHEK1
SCHEMBL2185433 0.74 MAPT (0.50) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2185093 0.74 MAPT (0.47) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3378512 0.72 MAPT (0.52) MAPK10MAPTKDM4ERAB9ASMN1; SMN2

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 MAPK10 2334/4885MAPT 1924/4885KDM4E 448/4885

“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.