SCHEMBL2005579

SCHEMBL2005579

[NH]C(=O)c1cnc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.71
CFTR P13569 1/20 0.55
KDR P35968 1/20 0.51
TOP2A P11388 2/20 0.51
TOP2B Q02880 2/20 0.51
BCAT1 P54687 1/20 0.51
MAP4K4 O95819 1/20 0.49
CSNK1G2 P78368 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
RAB9A P51151 4/20 0.49
CYP1A2 P05177 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGDS O60760 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47

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
SCHEMBL7371232 0.85 MGAM (0.76) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL28048 0.83 MGAM (1.00) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL29362407 0.83 MGAM (1.00) MGAMCFTRKDRTOP2ATOP2B
Bromide SCHEMBL7374451 0.83 MGAM (0.73) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL4816887 0.83 MGAM (0.73) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL4815422 0.81 MGAM (0.71) MGAMCFTRKDRTOP2ATOP2B
Hydrochloric Acid SCHEMBL9114407 0.81 MGAM (0.96) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL29684771 0.81 MGAM (0.71) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL29362497 0.81 MGAM (0.71) MGAMCFTRKDRTOP2ATOP2B
Hydrochloric Acid SCHEMBL1649216 0.81 MGAM (0.96) MGAMCFTRKDRTOP2ATOP2B

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-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
EP-1020446-B1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2006-03-15 EP disclosed
EP-1345892-B1 ACYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2005-03-09 EP disclosed
EP-1345892-A2 ACYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2003-09-24 EP disclosed
US-6511989-B2 For therapy of vagal dysfunction in the heart, improving cardiac function, therapy of person susceptible to cardiac death AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-01-28 US disclosed
US-20020123494-A1 Acylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-05 US disclosed
WO-2002036556-A2 ACYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-10 WO disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP 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 (3 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 MGAM 1155/4885CFTR 1295/4885KDR 929/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 MGAM 2628/4885CFTR 829/4885KDR 1127/4885
US-20020123494-A1 Acylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them KCNJ11, KCNJ1, KCNA1 MGAM 3060/4885CFTR 285/4885KDR 3322/4885

“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.