SCHEMBL3866085

SCHEMBL3866085

Cc1cc(N)ccc1N1CCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
GAA P10253 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 3/20 0.56
THRB P10828 2/20 0.56
NR4A1 P22736 1/20 0.56
PTK2B Q14289 1/20 0.56
MAPK1 P28482 1/20 0.52
AKR1C3 P42330 1/20 0.51
LMNA P02545 3/20 0.48
KDM4E B2RXH2 3/20 0.47
ALOX15 P16050 1/20 0.47
RAD52 P43351 1/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 2/20 0.42

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
SCHEMBL30168124 1.00 HSD17B10 (0.59) HSD17B10KMT2AMAPTGAAALDH1A1
SCHEMBL76351 0.95 KMT2A (0.58) HSD17B10KMT2AMAPTGAAALDH1A1
SCHEMBL5425961 0.94 KMT2A (0.57) HSD17B10KMT2AMAPTGAAALDH1A1
SCHEMBL17979899 0.87 HSD17B10 (0.59) HSD17B10KMT2AMAPTGAAALDH1A1
SCHEMBL2760313 0.85 HSD17B10 (0.57) HSD17B10KMT2AMAPTGAAALDH1A1
SCHEMBL12070446 0.83 HSD17B10 (0.55) HSD17B10KMT2AGAAALDH1A1MEN1
SCHEMBL25307241 0.82 HSD17B10 (0.58) HSD17B10KMT2AMAPTGAAMEN1
SCHEMBL3750305 0.81 MAPT (0.46) HSD17B10KMT2AMAPTGAAALDH1A1
SCHEMBL5631995 0.81 MAPT (0.57) HSD17B10KMT2AMAPTGAAALDH1A1
SCHEMBL6140971 0.81 TP53 (0.59) HSD17B10KMT2AMAPTGAAALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4161930-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 EP disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
WO-2021249893-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 WO disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
EP-1558247-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-20 EP disclosed
US-20050272740-A1 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-12-08 US disclosed
CN-1674893-A Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-09-28 CN disclosed
EP-1558247-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2005-08-03 EP disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 WO disclosed
EP-0891765-A2 Oxidative hair dye compositions Bristol-Myers Squibb Company (US) 1999-01-20 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 (2 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 HSD17B10 4263/4885KMT2A 3088/4885MAPT 4056/4885
US-20050272740-A1 Benzimidazole derivatives F12, F11, SERPINC1 HSD17B10 2926/4885KMT2A 1991/4885MAPT 4675/4885

“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.