SCHEMBL4701359

SCHEMBL4701359

Cc1ccc(NC(=O)c2ccccc2)cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.71
▸ NPC1 O15118 6/20 0.71
▸ RAB9A P51151 6/20 0.71
▸ FKBP5 Q13451 1/20 0.68
▸ PKM P14618 1/20 0.67
▸ MAPT P10636 5/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ KCNK3 O14649 3/20 0.61
▸ KCNK9 Q9NPC2 3/20 0.61
▸ POLB P06746 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ LMNA P02545 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CACNA1B Q00975 1/20 0.56
▸ APBA1 Q02410 1/20 0.56
▸ MAOA P21397 1/20 0.55

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
SCHEMBL10242069 0.87 KMT2A (0.71) KMT2ANPC1RAB9AFKBP5PKM
SCHEMBL28622654 0.86 RAB9A (0.93) KMT2ANPC1RAB9AFKBP5MAPT
SCHEMBL11793228 0.84 KMT2A (0.73) KMT2ANPC1RAB9APKMMAPT
SCHEMBL4701247 0.84 NPC1 (0.68) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6778190 0.83 KMT2A (0.71) KMT2ANPC1RAB9AFKBP5MAPT
SCHEMBL1924651 0.83 KCNK3 (0.66) NPC1RAB9AMAPTSMN1; SMN2KCNK3
SCHEMBL2853227 0.82 ALDH1A1 (0.64) KMT2ANPC1RAB9AFKBP5PKM
SCHEMBL3241551 0.82 KMT2A (0.69) KMT2ANPC1RAB9AFKBP5MAPT
SCHEMBL6346820 0.82 KMT2A (0.65) KMT2ANPC1RAB9AFKBP5PKM
SCHEMBL6054992 0.82 NPC1 (0.78) KMT2ANPC1RAB9AFKBP5MAPT

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
CN-104277051-B 4 aminothiophenes simultaneously [3,2 C] carboxylic acid derivates of pyridine 7 霍夫曼-拉罗奇有限公司 2017-06-09 — — CN disclosed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 — — EP disclosed
CN-101263145-B 4-amino-thieno [3,2-C ] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE 2015-02-25 — — CN disclosed
CN-104277051-A 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE 2015-01-14 — — CN disclosed
US-20100197688-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MSD K.K. (JP) 2010-08-05 — — US disclosed
US-20100197688-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MSD K.K. (JP) 2010-08-05 — — US disclosed
CN-101263145-A 4-amino-thieno [3, 2-C ] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2008-09-10 — — CN disclosed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 — — EP disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — WO disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 — — US disclosed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 — — EP disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 — — 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 (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-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 KMT2A 1605/4885NPC1 3084/4885RAB9A 1577/4885
US-20100197688-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER EPHA4, EPHA1, ERBB4 KMT2A 2092/4885NPC1 2343/4885RAB9A 1444/4885

“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.

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