SCHEMBL844842

SCHEMBL844842

[c]1ccccc1CN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
ALDH1A1 P00352 5/20 0.46
SIGMAR1 Q99720 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRNA7 P36544 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL844945 0.98 HRH3 (0.43) HRH3ALDH1A1SIGMAR1CYP2D6CYP2C19
SCHEMBL5380547 0.94 ALDH1A1 (0.39) HRH3ALDH1A1SIGMAR1CYP2D6CYP2C19
SCHEMBL27645919 0.91 ALDH1A1 (0.39) HRH3ALDH1A1SIGMAR1CYP2D6CYP2C19
SCHEMBL9367019 0.83 SIGMAR1 (0.56) HRH3SIGMAR1SLC6A3MBTD1L3MBTL3
SCHEMBL159991 0.81 ALDH1A1 (0.53) HRH3ALDH1A1SIGMAR1CYP2D6CYP2C19
SCHEMBL1449845 0.81 MC4R (0.55) ALDH1A1SIGMAR1HRH4KDM4ELMNA
SCHEMBL759018 0.81 SIGMAR1 (0.55) HRH3ALDH1A1SIGMAR1LMNATDP1
SCHEMBL12076753 0.81 SLC6A3 (0.55) HRH3SIGMAR1SLC6A3MBTD1L3MBTL3
SCHEMBL27708992 0.80 ALDH1A1 (0.51) HRH3ALDH1A1SIGMAR1CYP2D6CYP2C19
SCHEMBL4718636 0.80 HRH3 (0.38) HRH3SIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP claimed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US claimed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP claimed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US claimed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US claimed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP claimed
EP-0150073-B1 3,4-DISUBSTITUTED-1,2,5-OXADIAZOLES HAVING HISTAMINE H2-RECEPTOR ANTAGONIST ACTIVITY Bristol-Myers Squibb Company (US) 1990-09-26 EP claimed
US-4772704-A ANTIULCER AGENTS BRISTOL-MYERS COMPANY (US) 1988-09-20 US claimed
EP-0150073-A1 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2-receptor antagonist activity Bristol-Myers Squibb Company (US) 1985-07-31 EP claimed
US-4507485-A 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2 -receptor antagonist activity BRISTOL-MYERS COMPANY (US) 1985-03-26 US claimed
US-12024511-B2 Substituted imidazo[1,2-a]pyridin-2-ylamine compounds, and pharmaceutical compositions and methods of use thereof SHANGHAI FUDAN-ZHANGJIANG BIO-PHARMACEUTICAL CO., LTD. (CN) 2024-07-02 US disclosed
US-20200361934-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF JN THERAPEUTICS LTD. (CN) 2020-11-19 US disclosed
EP-3250572-B1 SUBSTITUTED IMIDAZO [1, 2-A]PYRIDIN-2-YLAMINE COMPOUNDS, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF SHANGHAI FUDAN ZHANGJIANG BIO PHARMACEUTICAL CO LTD (CN) 2020-08-26 EP disclosed
EP-0150073-A1 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2-receptor antagonist activity Bristol-Myers Squibb Company (US) 1985-07-31 EP disclosed
US-4507485-A 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2 -receptor antagonist activity BRISTOL-MYERS COMPANY (US) 1985-03-26 US disclosed
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 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 (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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 HRH3 936/4885ALDH1A1 4193/4885SIGMAR1 2750/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 HRH3 3499/4885ALDH1A1 3613/4885SIGMAR1 4282/4885
US-12024511-B2 Substituted imidazo[1,2-a]pyridin-2-ylamine compounds, and pharmaceutical compositions and methods of use thereof JAK1, JAK2, JAK3 HRH3 842/4885ALDH1A1 1310/4885SIGMAR1 1420/4885
US-20200361934-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 HRH3 842/4885ALDH1A1 1310/4885SIGMAR1 1420/4885

“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.