SCHEMBL4380182

SCHEMBL4380182

S=c1[nH]c2cnc3cccnc3c2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
APOBEC3G Q9HC16 1/20 0.48
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PKM P14618 3/20 0.44
MAPK10 P53779 1/20 0.44
PGR P06401 1/20 0.41
ALDH1A1 P00352 3/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AGTR1 P30556 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
SCHEMBL202257 0.77 MPO (0.34) KDM4EKMT2AMEN1PKMSMN1; SMN2
SCHEMBL204290 0.69 BCHE (0.42) KDM4EALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4383637 0.69 POLB (0.45) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL4377042 0.68 PDE4A (0.41) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL4381598 0.68 CYP2C19 (0.58) KDM4EKMT2AMEN1PIK3CAMTOR
SCHEMBL1905187 0.67 BRD4 (0.58) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3353822 0.66 AVPR1A (0.43) KMT2AMEN1
SCHEMBL2329646 0.66 PIK3CA (0.40) KDM4EPIK3CAMTORALDH1A1CYP3A4
SCHEMBL10492810 0.66 APOBEC3G (1.00) KDM4EAPOBEC3GKMT2AMEN1PGR
SCHEMBL2326516 0.65 ADORA3 (0.45) KMT2AMEN1PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329721-B2 Hydroxy and alkoxy substituted 1H-imidazonaphthyridines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-11 US disclosed
US-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS PFIZER INC. 2009-12-03 US disclosed
WO-2007106854-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZONAPHTHYRIDINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 WO 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-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS IL2, IL4, IFNG KDM4E 2756/4885APOBEC3G 1374/4885KMT2A 3588/4885

“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.