SCHEMBL844622

SCHEMBL844622

c1ccc(C2CNCC[N]2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.39
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PLD1 Q13393 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34

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
SCHEMBL1355983 0.90 NISCH (0.37) NISCHDDB1CRBNALDH1A1MAPT
SCHEMBL1254387 0.78 HTR2A (0.33) ALDH1A1KDM4E
SCHEMBL4681860 0.78 GSK3B (0.33) GSK3B
SCHEMBL844231 0.76 NISCH (0.39) NISCH
SCHEMBL571789 0.74 SLC18A3 (0.41) NISCHALDH1A1MAPTKDM4EHIF1A
SCHEMBL1171264 0.73 ALDH1A1 (0.41) NISCHDDB1CRBNALDH1A1MAPT
SCHEMBL2583636 0.72 CYP3A4 (0.42) NISCHALDH1A1MAPTNPC1RAB9A
SCHEMBL3549040 0.72 SLC6A2 (0.35)
SCHEMBL3549147 0.72 SLC6A2 (0.35) NISCHRAB9ACYP1A2HIF1A
SCHEMBL449107 0.71 ALDH1A1 (0.44) DDB1CRBNALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761406-B Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-04-19 CN claimed
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 EP claimed
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US claimed
CN-114761406-A Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-07-15 CN claimed
WO-2021110614-A1 HYDROPYRIDO[1,2-α]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 WO claimed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP claimed
US-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones THE BANK OF NOVA SCOTIA (CA) 2017-03-30 US claimed
EP-2448922-B1 FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES APOTEX TECHNOLOGIES INC (CA) 2014-08-20 EP claimed
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP claimed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US claimed
US-20070021409-A1 Antiparasitic artemisinin derivatives (endoperoxides) BAYER AKTIENGESELLSCHAFT (DE) 2007-01-25 US claimed
WO-2006072792-A2 COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES GALAPAGOS NV (BE) 2006-07-13 WO claimed
EP-1095042-B9 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) BAYER HEALTHCARE AG (DE) 2006-07-05 EP claimed
EP-1655302-A2 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) Bayer HealthCare AG (DE) 2006-05-10 EP claimed
EP-1095042-B1 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) BAYER HEALTHCARE AG (DE) 2005-12-28 EP claimed
WO-2005111017-A1 TRIAZINE COMPOUNDS AS INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-24 WO claimed
US-20050250945-A1 Triazine compounds as inhibitors of bacterial type III protein secretion systems JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-10 US claimed
EP-1095042-A1 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) Bayer Aktiengesellschaft (DE) 2001-05-02 EP claimed
WO-2000004024-A1 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) BAYER AKTIENGESELLSCHAFT (DE) 2000-01-27 WO claimed
EP-0354303-A1 Amidines of diphenyl sulfones, their derivatives and their use AMERICAN CYANAMID COMPANY (US) 1990-02-14 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR7, TLR9, TLR5 NISCH 1881/4885DDB1 2105/4885CRBN 4863/4885
US-20050250945-A1 Triazine compounds as inhibitors of bacterial type III protein secretion systems PSMB5, GTF3C3, GTF3C5 NISCH 224/4885DDB1 1434/4885CRBN 2494/4885
US-20070021409-A1 Antiparasitic artemisinin derivatives (endoperoxides) DHPS, CASP10, FECH NISCH 1708/4885DDB1 3670/4885CRBN 4688/4885
US-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones FH, FECH, FPGS NISCH 1375/4885DDB1 1996/4885CRBN 3488/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 NISCH 1727/4885DDB1 2868/4885CRBN 3263/4885

“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.