SCHEMBL6724147

SCHEMBL6724147

CCCCC(OC(C)=O)c1nc2c(Cl)nc3ccccc3c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.42
TMEM97 Q5BJF2 2/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSPO P30536 1/20 0.37
CYP2C19 P33261 1/20 0.37
PARP1 P09874 1/20 0.35

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
SCHEMBL8431909 0.86 ADORA3 (0.38) ADORA3TMEM97HTR2BSIGMAR1
SCHEMBL6719057 0.84 ADORA3 (0.36) ADORA3TMEM97HTR2BSIGMAR1CYP1A2
SCHEMBL6734722 0.81 ALDH1A1 (0.43) ADORA3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8432462 0.76 ADORA3 (0.39) ADORA3TMEM97HTR2BSIGMAR1ALDH1A1
SCHEMBL1424053 0.69 PARP1 (0.52) CYP1A2CYP3A4PARP1
SCHEMBL6723888 0.68 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6666615 0.68 PABPC1 (0.50) ALDH1A1CYP3A4
SCHEMBL7219790 0.67 TAAR1 (0.36)
SCHEMBL212220 0.67 ELANE (0.43) ADORA3ALDH1A1
SCHEMBL12335334 0.67 KDM4E (0.45) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790961-B2 REACTING A 3-AMINO-4-(SUBSTITUTED)AMINO-2-CHLOROQUINOLINE WITH AN ALKYLCARBONYL CHLORIDE TO FORM THE 2-ALKYLCARBOXAMIDE INTERMEDIATE 3M INNOVATIVE PROPERTIES COMPANY 2004-09-14 US disclosed
US-20040122231-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo[4,5-c]quinolin-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2004-06-24 US disclosed
US-6686472-B2 Process for preparing 1-substituted, 2-substituted 1-H-imidazo(4,5-c)quinolin-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2004-02-03 US disclosed
US-20030212270-A1 Process for preparing 1-Substituted, 2-Substituted 1-H-Imidazo(4,5-c)quinolin-4-Amines 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 US disclosed
US-6608201-B2 Amidation of a 2-halo-3,4-diaminoquinoline with an acid chloride; dehalogenation, amination with ammonia; cyclization 3M INNOVATIVE PROPERTIES COMPANY 2003-08-19 US disclosed
US-20030119861-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo[4,5-c]quinolin-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2003-06-26 US disclosed
US-20020115861-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo [4, 5-c] quinoline-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2002-08-22 US disclosed
US-6348462-B1 VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2002-02-19 US disclosed
US-5977366-A 1-substituted, 2-substituted 1H-imidazo[4,5-c] quinolin-4-amines 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-11-02 US disclosed
US-5605899-A VIRICIDES, BIOSYNTHESIS OF INTERFERONS, ANTITUMOR AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-02-25 US disclosed
US-5389640-A Viricides, antitumor agents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-14 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 (4 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-20030212270-A1 Process for preparing 1-Substituted, 2-Substituted 1-H-Imidazo(4,5-c)quinolin-4-Amines IFNAR1, IRF3, IFNG ADORA3 673/4885TMEM97 3180/4885HTR2B 1814/4885
US-20020115861-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo [4, 5-c] quinoline-4-amines IFNAR1, IFNG, IRF3 ADORA3 748/4885TMEM97 2542/4885HTR2B 2195/4885
US-20040122231-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo[4,5-c]quinolin-4-amines UGT1A4, QARS1, HTR4 ADORA3 1019/4885TMEM97 3941/4885HTR2B 322/4885
US-20030119861-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo[4,5-c]quinolin-4-amines IRF3, IFNAR1, IFNG ADORA3 592/4885TMEM97 3235/4885HTR2B 2013/4885

“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.