SCHEMBL497359

SCHEMBL497359

N=C(N)Nc1ncc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.47
FDPS P14324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
PCSK9 Q8NBP7 1/20 0.40
MAP3K7 O43318 2/20 0.38
MAP3K6 O95382 2/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GPR3 P46089 1/20 0.37
EGFR P00533 1/20 0.37
S1PR3 Q99500 1/20 0.36
CCNK O75909 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL31548018 1.00 MAP3K5 (0.47) MAP3K5FDPSNPSR1PCSK9MAP3K7
SCHEMBL31143762 0.82 MAP3K5 (0.54) MAP3K5FDPSNPSR1PCSK9MAP3K7
SCHEMBL8986816 0.82 MAP3K5 (0.54) MAP3K5FDPSNPSR1PCSK9MAP3K7
SCHEMBL1483456 0.77 MAP3K5 (0.68) MAP3K5FDPSPCSK9MAP3K7MAP3K6
SCHEMBL2338189 0.77 MAPT (0.46) MAP3K5FDPSPCSK9ROCK1KDM4E
SCHEMBL30961064 0.77 MAPT (0.46) MAP3K5FDPSPCSK9ROCK1KDM4E
SCHEMBL28184943 0.77 FDPS (0.48) MAP3K5FDPSPCSK9ROCK1KDM4E
SCHEMBL6467426 0.77 MAP3K5 (0.54) MAP3K5FDPSPCSK9ROCK1KDM4E
SCHEMBL6307534 0.75 NPC1 (0.58) MAP3K5FDPSKDM4ECYP1A2PLAU
SCHEMBL28347289 0.75 MAP3K5 (0.50) MAP3K5FDPSPCSK9MAP3K7MAP3K6

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO claimed
US-20230183187-A1 QUINAZOLINE COMPOUNDS AS INHIBITORS OF PREMATURE TERMINATION CODONS CENTRE NAT RECH SCIENT (FR) 2023-06-15 US disclosed
EP-4149930-A1 QUINAZOLINE COMPOUNDS AS INHIBITORS OF PREMATURE TERMINATION CODONS Centre national de la recherche scientifique (FR) 2023-03-22 EP disclosed
WO-2021228945-A1 QUINAZOLINE COMPOUNDS AS INHIBITORS OF PREMATURE TERMINATION CODONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-11-18 WO disclosed
WO-2020263164-A1 COMPOUNDS TARGETING DUAL G-QUADRUPLEX DNA AND STAT3 SABOURI NASIM (SE) 2020-12-30 WO disclosed
US-20180002295-A1 Compositions and Methods for Treating Anxiety and Compulsive Behavior UNIV IOWA RES FOUND (US) 2018-01-04 US disclosed
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
EP-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 EP disclosed
WO-2016118952-A1 COMPOSITIONS AND METHODS FOR TREATING ANXIETY AND COMPULSIVE BEHAVIOR UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-07-28 WO disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-08 US disclosed
CN-1450996-A 2-guanidino-4-aryl-quinazoline MERCK PATENT GMBH (DE) 2003-10-22 CN disclosed
US-20030187045-A1 Substituted imidazolidines, process for their preparation, and their use as a medicament or diagnostic AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-02 US disclosed
US-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
CN-1422260-A 2-guanidino-4-arylchinazolines as NHE-3 inhibitors MERCK PATENT GMBH (DE) 2003-06-04 CN disclosed
WO-2003026657-A1 COMPOUNDS FOR THE TREATMENT OF PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO disclosed
WO-2003026667-A1 QUINAZOLINO- AND QUINOLINO- GUANIDINES AS LIGANDS FOR THE NEUROP EPTIDE FF (NPFF) RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO disclosed
US-4128643-A 4-Quinazolinyl-guanidines HOECHST AKTIENGESELLSCHAFT (DE) 1978-12-05 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 (8 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-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis TST, GOT2, ALPP MAP3K5 3720/4885FDPS 110/4885NPSR1 1123/4885
US-20030187045-A1 Substituted imidazolidines, process for their preparation, and their use as a medicament or diagnostic CHRM1, ARG2, ACHE MAP3K5 2932/4885FDPS 1533/4885NPSR1 1424/4885
US-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 MAP3K5 3329/4885FDPS 3163/4885NPSR1 4/4885
US-20180002295-A1 Compositions and Methods for Treating Anxiety and Compulsive Behavior HCRTR1, CHAT, CRH MAP3K5 4512/4885FDPS 4510/4885NPSR1 33/4885
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB MAP3K5 2241/4885FDPS 881/4885NPSR1 4093/4885
US-20230183187-A1 QUINAZOLINE COMPOUNDS AS INHIBITORS OF PREMATURE TERMINATION CODONS UPF1, NUDT21, REV1 MAP3K5 1094/4885FDPS 1178/4885NPSR1 3334/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 MAP3K5 4647/4885FDPS 4296/4885NPSR1 39/4885
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, FANCI MAP3K5 3617/4885FDPS 192/4885NPSR1 973/4885

“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.