SCHEMBL312073

SCHEMBL312073

C#CCCN1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 2/20 0.39
HRH3 Q9Y5N1 3/20 0.37
PAOX Q6QHF9 1/20 0.36
MC4R P32245 1/20 0.34
SIGMAR1 Q99720 4/20 0.34
HTR7 P34969 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RAB9A P51151 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL25431154 1.00 ALDH1A1 (0.44) ALDH1A1PKMPOLBHRH3PAOX
SCHEMBL311930 0.86 PAOX (0.42) ALDH1A1PKMHRH3PAOXSIGMAR1
SCHEMBL4422272 0.84 PAOX (0.46) ALDH1A1PKMHRH3PAOXSIGMAR1
SCHEMBL3982710 0.83 ALDH1A1 (0.42) ALDH1A1PKMPOLBSIGMAR1RAB9A
SCHEMBL3770379 0.79
SCHEMBL25433068 0.79 POLB (0.48) ALDH1A1PKMPOLBHRH3LMNA
SCHEMBL22702440 0.78 ALDH1A1 (0.76) ALDH1A1PKMPOLBNPSR1LMNA
SCHEMBL28172326 0.78 ALDH1A1 (0.38) ALDH1A1PKMPOLB
SCHEMBL25432585 0.77 HRH3 (0.48) ALDH1A1PKMPOLBHRH3CYP1A2
SCHEMBL20858732 0.77 HRH3 (0.48) ALDH1A1PKMPOLBHRH3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630531-B2 Quinazoline-2,4-diamine derivative and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient OMIC SMAP INC. (KR) 2026-05-19 US disclosed
WO-2024129763-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2024129763-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
US-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT OMIC SMAP INC. (KR) 2023-11-16 US disclosed
US-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT OMIC SMAP INC. (KR) 2023-11-16 US disclosed
US-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT OMIC SMAP INC. (KR) 2023-11-16 US disclosed
EP-4230624-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT The Asan Foundation (KR) 2023-08-23 EP disclosed
EP-4230624-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT The Asan Foundation (KR) 2023-08-23 EP disclosed
EP-3344613-B1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2020-03-04 EP disclosed
US-8093229-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2012-01-10 US disclosed
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2006-10-05 US disclosed
WO-2006105372-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-05 WO disclosed
US-20060116375-A1 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-alkoxy-7-ethynyl-3-quinolinecarbonitriles for the treatment of ischemic injury WYETH (US) 2006-06-01 US disclosed
WO-2006047262-A1 4 [(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-7-ETHYNYL-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY WYETH (US) 2006-05-04 WO disclosed
US-6683181-B2 MIXING POLYSTYRENE-TOSYL CHLORIDE RESIN WITH C2-12ALKYNOL; REACTING WITH AMINE TO MAKE CHEMICAL INTERMEDIATE; HERPES VIRUS TREATMENT PHARMACIA AND UPJOHN COMAPNY 2004-01-27 US disclosed
US-20030153561-A1 Pyrroloquinolones as antiviral agents VAILLANCOURT VALERIE A (US) 2003-08-14 US disclosed
EP-1299386-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-6525049-B2 Such as N-(4-chlorobenzyl)-2-(hydroxymethyl)-6-oxo-6H-pyrrolo (3,2,1-ij)quinoline-5-carboxamide for treatment of herpes PHARMACIA & UPJOHN COMPANY 2003-02-25 US disclosed
US-20020055636-A1 Pyrroloquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-05-09 US disclosed
WO-2002002558-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-10 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 (6 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-20030153561-A1 Pyrroloquinolones as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 ALDH1A1 1446/4885PKM 1773/4885POLB 131/4885
US-20020055636-A1 Pyrroloquinolones as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 ALDH1A1 1446/4885PKM 1773/4885POLB 131/4885
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 ALDH1A1 978/4885PKM 3013/4885POLB 1094/4885
US-20060116375-A1 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-alkoxy-7-ethynyl-3-quinolinecarbonitriles for the treatment of ischemic injury TNNI3, SUCNR1, EDNRA ALDH1A1 1174/4885PKM 2772/4885POLB 1494/4885
US-12630531-B2 Quinazoline-2,4-diamine derivative and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient EHMT2, EHMT1, HNMT ALDH1A1 500/4885PKM 618/4885POLB 1158/4885
US-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT EHMT2, EHMT1, HNMT ALDH1A1 899/4885PKM 638/4885POLB 1753/4885

“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.