SCHEMBL4289330

SCHEMBL4289330

Nc1ccccc1C(=O)Nc1[c]cccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
PTGS1 P23219 2/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
P2RX1 P51575 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HDAC1 Q13547 1/20 0.44
CFTR P13569 1/20 0.43
HPGD P15428 3/20 0.41
MAPT P10636 1/20 0.41
PYGL P06737 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
SCHEMBL27695097 0.80 RAB9A (0.42) FADS1NPC1RAB9AALDH1A1KDM4E
SCHEMBL4149879 0.80 MEN1 (0.59) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL482522 0.80 HPGD (0.57) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6805383 0.78 MMP3 (0.56) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL10532020 0.76 DDX3X (0.44) ALDH1A1GAAMAPT
SCHEMBL6110708 0.76 JAK2 (0.52) NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL429187 0.75 PTPN1 (0.48) NPC1RAB9AKDM4EHSD17B10SMN1; SMN2
SCHEMBL7407843 0.75 PTGS1 (0.60) FADS1NPC1RAB9APTGS1ALDH1A1
SCHEMBL55828 0.74 GAA (0.42) NPC1ALDH1A1KDM4EHSD17B10GAA
SCHEMBL11743614 0.74 NPC1 (0.72) FADS1NPC1RAB9APTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US claimed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP claimed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 WO claimed
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US disclosed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP disclosed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 WO disclosed
CN-1313439-C Compounds and compositions for delivery of active agents EMISPHERE TECH INC (US) 2007-05-02 CN disclosed
CN-1315936-A Compounds and compositions for delivery of active agents EMISPHERE TECH INC (US) 2001-10-03 CN 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-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS ATR, ATM, CHEK1 FADS1 1402/4885NPC1 1299/4885RAB9A 2181/4885

“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.