SCHEMBL6100145

SCHEMBL6100145

CC(C)Cc1cccc2c1c(N)c(N)c1nnnn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TNKS O95271 5/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 5/20 0.33
RXFP1 Q9HBX9 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA2 P47869 1/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
TLR7 Q9NYK1 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3355967 0.82
SCHEMBL3357439 0.79
SCHEMBL6106735 0.67 KDM4E (0.43) TNKSNPSR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5827326 0.67
SCHEMBL14130986 0.67 KDM4E (0.44) TNKSNPSR1CYP1A2CYP2C19KDM4E
SCHEMBL3960659 0.65 GABRA1 (0.60) GABRA1GABRB2GABRG2GABRB3GABRA2
SCHEMBL843296 0.65 MEN1 (0.38) TNKSNPSR1KDM4ERXFP1SMN1; SMN2
SCHEMBL11866697 0.62 NPSR1 (0.34) TNKSNPSR1CYP1A2CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9285560 0.61 GABRA1 (0.39) GABRA1GABRB2TLR7
SCHEMBL16101465 0.61 GABRA1 (0.54) GABRA1GABRB2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026482-B2 Process for preparing imidazoquinolinamines MEDICIS PHARMACEUTICAL CORPORATION 2006-04-11 US disclosed
US-6897314-B2 Process for preparing imidazoquinolinamines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-24 US disclosed
US-20050096470-A1 Process for preparing imidazoquinolinamines 3M INNOVATIVE PROPERTIES COMPANY 2005-05-05 US disclosed
EP-0912565-B1 PROCESS FOR PREPARING IMIDAZOQUINOLINAMINES MINNESOTA MINING & MFG (US) 2004-04-14 EP disclosed
US-20040019213-A1 Process for preparing imidazoquinolinamines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US disclosed
US-6624305-B2 Reacting a 6H-imidazo(4,5-c) tetrazolo(1,5-a)quinoline with triphenylphosphine and hydrolyzing 3M INNOVATIVE PROPERTIES COMPANY 2003-09-23 US disclosed
US-6613902-B2 Induce biosynthesis of cytokines such as interferons, interleukins, and tumor necrosis factor in humans and in mice. 3M INNOVATIVE PROPERTIES COMPANY 2003-09-02 US disclosed
US-20030153762-A1 Process for preparing imidazoquinolinamines 3M INNOVATIVE PROPERTIES COMPANY 2003-08-14 US disclosed
US-20030130516-A1 PROCESS FOR PREPARING IMIDAZOQUINOLINAMINES 3M INNOVATIVE PROPERTIES COMPANY 2003-07-10 US disclosed
US-6534654-B2 Providing a tetrazole(1,5-a)quinolin-5-ol and nitrating the compound to form 4-nitrotetrazole(1,5-a)quinoline-5-ol, sulfonylating at 5-position, reacting with an amine to form a 5-amine derivative, further reducing to form 4,5-daimines 3M INNOVATIVE PROPERTIES COMPANY 2003-03-18 US disclosed
US-20020188127-A1 Process for preparing imidazoquinolinamines 3M INNOVATIVE PROPERTIES COMPANY 2002-12-12 US disclosed
US-6437131-B1 REACTING A 6H-IMIDAZO(4,5-C)TETRAZOLO(1,5-A)QUINOLINE WITH TRIPHENYLPHOSPHINE, HYDROLYZING TO FORM 1H-IMIDAZO(4,5-C) QUINOLIN-4-AMINES; INTERMEDIATE IS A 4-NITROTETRAZOLO(1,5-A) QUINOLIN-5-SULFONATE IN THE PR 3M INNOVATIVE PROPERTIES COMPANY 2002-08-20 US disclosed
EP-0912565-A1 PROCESS FOR PREPARING IMIDAZOQUINOLINAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-05-06 EP disclosed
WO-1997048704-A1 PROCESS FOR PREPARING IMIDAZOQUINOLINAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-24 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 (5 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-20040019213-A1 Process for preparing imidazoquinolinamines VAT1, QARS1, TALDO1 GABRA1 3641/4885GABRB2 4574/4885TNKS 40/4885
US-20050096470-A1 Process for preparing imidazoquinolinamines ITPA, INMT, PIP4K2C GABRA1 3569/4885GABRB2 4220/4885TNKS 40/4885
US-20020188127-A1 Process for preparing imidazoquinolinamines VAT1, QARS1, TALDO1 GABRA1 3641/4885GABRB2 4574/4885TNKS 40/4885
US-20030130516-A1 PROCESS FOR PREPARING IMIDAZOQUINOLINAMINES VAT1, QARS1, TALDO1 GABRA1 3641/4885GABRB2 4574/4885TNKS 40/4885
US-20030153762-A1 Process for preparing imidazoquinolinamines VAT1, QARS1, TALDO1 GABRA1 3641/4885GABRB2 4574/4885TNKS 40/4885

“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.