SCHEMBL1976009

SCHEMBL1976009

CC(=O)c1ccc(-n2ccnc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.62
BAZ2B Q9UIF8 1/20 0.62
CYP1A2 P05177 6/20 0.60
CYP2D6 P10635 6/20 0.60
CYP2C19 P33261 4/20 0.60
CYP2C9 P11712 2/20 0.60
KMT2A Q03164 1/20 0.60
GAA P10253 1/20 0.57
KCNJ1 P48048 1/20 0.54
HSD17B10 Q99714 4/20 0.47
ALOX15 P16050 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
MAPK1 P28482 2/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
ADH5 P11766 3/20 0.44
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 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
SCHEMBL30317655 1.00 CYP3A4 (0.62) CYP3A4BAZ2BCYP1A2CYP2D6CYP2C19
SCHEMBL600477 0.86 CYP3A4 (0.61) CYP3A4BAZ2BCYP1A2CYP2D6CYP2C19
SCHEMBL5280849 0.84 CYP3A4 (0.60) CYP3A4BAZ2BCYP1A2CYP2D6CYP2C19
SCHEMBL17352303 0.84 HTT (0.65) CYP3A4BAZ2BCYP1A2CYP2D6CYP2C19
SCHEMBL8297460 0.81 CYP3A4 (0.56) CYP3A4BAZ2BCYP1A2CYP2D6CYP2C19
SCHEMBL26835756 0.80 KCNJ1 (0.55) CYP3A4BAZ2BCYP1A2CYP2D6CYP2C19
SCHEMBL5306190 0.80 CYP3A4 (0.55) CYP3A4BAZ2BCYP1A2CYP2D6CYP2C19
SCHEMBL10757760 0.80 CYP3A4 (0.55) CYP3A4BAZ2BCYP1A2CYP2D6CYP2C19
SCHEMBL7259823 0.79 CYP3A4 (0.52) CYP3A4BAZ2BCYP1A2CYP2D6CYP2C19
SCHEMBL10469495 0.79 CYP3A4 (0.54) CYP3A4BAZ2BCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117999075-A Compounds and pharmaceutical compositions comprising inhibitors of amyloid peptide interaction with glycosaminoglycans, methods of treatment, and uses thereof 吉斯莫治疗股份有限公司 2024-05-07 CN disclosed
EP-2725027-B1 NOVEL COMPOUND WITH AMYLOID AFFINITY NIHON MEDIPHYSICS CO LTD (JP) 2017-03-01 EP disclosed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
US-9211350-B2 Compound with amyloid affinity NIHON MEDI-PHYSICS CO., LTD. (JP) 2015-12-15 US disclosed
US-9211350-B2 Compound with amyloid affinity NIHON MEDI-PHYSICS CO., LTD. (JP) 2015-12-15 US disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140121377-A1 NOVEL COMPOUND WITH AMYLOID AFFINITY NIHON MEDI-PHYSICS CO., LTD. (JP) 2014-05-01 US disclosed
EP-2725027-A1 NOVEL COMPOUND WITH AMYLOID AFFINITY Nihon Medi-Physics Co., Ltd. (JP) 2014-04-30 EP disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
CN-103596950-A Novel compound with amyloid affinity NIHON MEDIPHYSICS CO LTD 2014-02-19 CN disclosed
WO-2012176587-A1 NOVEL COMPOUND WITH AMYLOID AFFINITY 日本メジフィジックス株式会社 (JP) 2012-12-27 WO disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 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 (3 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-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP3A4 738/4885BAZ2B 2972/4885CYP1A2 495/4885
US-20140121377-A1 NOVEL COMPOUND WITH AMYLOID AFFINITY APP, APBA1, BACE1 CYP3A4 2017/4885BAZ2B 1206/4885CYP1A2 1797/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP3A4 738/4885BAZ2B 2972/4885CYP1A2 495/4885

“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.