SCHEMBL1955237

SCHEMBL1955237

N#Cc1ccc(-n2cncn2)c(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 10/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.39
ADORA3 P0DMS8 5/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL616961 0.78 CRHBP (0.47) KDM4EALDH1A1SMN1; SMN2
SCHEMBL27971838 0.78 CYP19A1 (0.45) ALDH1A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL29935616 0.78 CYP1A2 (0.47) KDM4EALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL28030309 0.78 CYP19A1 (0.43) CYP11B1CYP11B2CYP19A1CYP3A4CYP2C19
SCHEMBL30480716 0.78 CRHBP (0.47) KDM4EALDH1A1SMN1; SMN2
SCHEMBL12905110 0.78 CYP19A1 (0.43) CYP11B1CYP11B2CYP19A1CYP3A4CYP2C19
SCHEMBL1956908 0.78 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL1957646 0.75 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL1956919 0.74 MAOB (0.47) KDM4EALDH1A1SMN1; SMN2CYP19A1CYP3A4
SCHEMBL1610377 0.74 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108341799-B Novel indole derivatives for the treatment of cancer, viral infections and lung diseases 生物控制术公司 2022-01-25 CN disclosed
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2020-12-01 US disclosed
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2020-12-01 US disclosed
US-20190169124-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES DIACCURATE (FR) 2019-06-06 US disclosed
US-20190169124-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES DIACCURATE (FR) 2019-06-06 US disclosed
US-10189782-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2019-01-29 US disclosed
US-10189782-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2019-01-29 US disclosed
US-20170233342-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES DIACCURATE (FR) 2017-08-17 US disclosed
US-20170233342-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES DIACCURATE (FR) 2017-08-17 US disclosed
US-20170233342-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES DIACCURATE (FR) 2017-08-17 US disclosed
EP-2509975-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2014-04-23 EP disclosed
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
EP-2509975-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
WO-2011068821-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 WO disclosed
WO-2011068821-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 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 (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-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTC4S, LTB4R, LTB4R2 KDM4E 1908/4885ALDH1A1 552/4885SMN1; SMN2 3639/4885
US-20190169124-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES IDO2, IDO1, ING2 KDM4E 1505/4885ALDH1A1 2891/4885SMN1; SMN2 4692/4885
US-10189782-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases IDO2, IDO1, ING2 KDM4E 1237/4885ALDH1A1 2533/4885SMN1; SMN2 4705/4885
US-20170233342-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES IDO2, IDO1, ING2 KDM4E 1505/4885ALDH1A1 2891/4885SMN1; SMN2 4692/4885
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases IDO2, IDO1, ING2 KDM4E 1237/4885ALDH1A1 2533/4885SMN1; SMN2 4705/4885

“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.