SCHEMBL1382276

SCHEMBL1382276

CC(CCCN)Nc1cccc2cccnc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.71
HSP90AB1 P08238 8/20 0.71
CYP1A2 P05177 4/20 0.68
KDM4E B2RXH2 3/20 0.68
CYP3A4 P08684 3/20 0.68
ALDH1A1 P00352 3/20 0.68
CASP1 P29466 2/20 0.68
LMNA P02545 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C19 P33261 2/20 0.68
ABCB11 O95342 1/20 0.68
ESR1 P03372 1/20 0.68
PGR P06401 1/20 0.68
ADRB2 P07550 1/20 0.68
CHRM2 P08172 1/20 0.68
ADRB1 P08588 1/20 0.68
HTR1A P08908 1/20 0.68
ADRA2A P08913 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
NQO2 P16083 1/20 0.68

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
SCHEMBL3063140 0.85 IDO1 (0.61) HSP90AA1HSP90AB1CYP1A2KDM4ECYP3A4
SCHEMBL4545212 0.84 HSP90AA1 (0.76) HSP90AA1HSP90AB1CYP1A2KDM4ECYP3A4
SCHEMBL15461596 0.83 HSP90AA1 (1.00) HSP90AA1HSP90AB1CYP1A2KDM4ECYP3A4
Primaquine SCHEMBL22208 0.81 KDM4E (1.00) HSP90AA1HSP90AB1CYP1A2KDM4ECYP3A4
Primaquine SCHEMBL22207 0.81 KDM4E (1.00) HSP90AA1HSP90AB1CYP1A2KDM4ECYP3A4
Primaquine SCHEMBL29409423 0.81 KDM4E (1.00) HSP90AA1HSP90AB1CYP1A2KDM4ECYP3A4
Primaquine SCHEMBL12599100 0.81 KDM4E (1.00) HSP90AA1HSP90AB1CYP1A2KDM4ECYP3A4
SCHEMBL17085394 0.81 HSP90AA1 (0.75) HSP90AA1HSP90AB1CYP1A2KDM4ECYP3A4
Primaquine SCHEMBL979493 0.80 KDM4E (0.98) HSP90AA1HSP90AB1CYP1A2KDM4ECYP3A4
Primaquine SCHEMBL6333949 0.80 KDM4E (0.98) HSP90AA1HSP90AB1CYP1A2KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4727233-B2 2011-07-20 JP claimed
JP-2006521284-A 2006-09-21 JP claimed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP claimed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO claimed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 US claimed
US-6979740-B2 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2005-12-27 US disclosed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP disclosed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO disclosed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 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-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents QDPR, SLC11A2, CYP2C8 HSP90AA1 3159/4885HSP90AB1 3066/4885CYP1A2 66/4885

“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.