SCHEMBL1269573

SCHEMBL1269573

N#Cc1ccc(NCc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.61
KLK5 Q9Y337 1/20 0.61
HSD17B10 Q99714 1/20 0.61
PKM P14618 1/20 0.56
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
ABCB1 P08183 1/20 0.47
DDAH1 O94760 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL10371770 0.84 KLK1 (0.68) KLK1KLK5HSD17B10PKMRAB9A
SCHEMBL28543736 0.81 NPC1 (0.65) KLK1KLK5HSD17B10PKMRAB9A
SCHEMBL30619961 0.81 NPC1 (0.65) KLK1KLK5HSD17B10PKMRAB9A
SCHEMBL4454948 0.80 KLK1 (0.63) KLK1KLK5HSD17B10PKMRAB9A
SCHEMBL7447468 0.79 TGFBR1 (0.46) KLK1KLK5HSD17B10RAB9ANPC1
Hydrochloric Acid SCHEMBL10508401 0.78 HSD17B10 (0.61) KLK1KLK5HSD17B10PKMRAB9A
SCHEMBL7265526 0.78 GAA (0.69) PKMRAB9ANPC1LMNADDAH1
SCHEMBL21174657 0.77 KDM4E (0.59) HSD17B10RAB9ANPC1MAPTLMNA
SCHEMBL5562229 0.76 KLK1 (0.77) KLK1KLK5HSD17B10PKMRAB9A
SCHEMBL1268891 0.76 KLK1 (1.00) KLK1KLK5HSD17B10PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177605-B1 METHOD FOR PRODUCING DABIGATRAN ETEXILATE METHANESULPHONATE BOEHRINGER INGELHEIM INT (DE) 2019-03-27 EP disclosed
EP-3177605-A1 METHOD FOR PRODUCING DABIGATRAN ETEXILATE METHANESULPHONATE Boehringer Ingelheim International GmbH (DE) 2017-06-14 EP disclosed
US-9546154-B2 Method for producing dabigatran etexilate methansulphonate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-17 US disclosed
US-20160039791-A1 METHOD FOR PRODUCING DABIGATRAN ETEXILATE METHANSULPHONATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-11 US disclosed
WO-2016020471-A1 METHOD FOR PRODUCING DABIGATRAN ETEXILATE METHANESULPHONATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-11 WO disclosed
US-9212166-B2 Process for the preparation of dabigatran etexilate mesylate and polymorphs of intermediates thereof CADILA HEALTHCARE LIMITED (IN) 2015-12-15 US disclosed
EP-1761510-B1 METHOD FOR PRODUCING 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDINES BOEHRINGER INGELHEIM INT (DE) 2015-05-13 EP disclosed
US-8993770-B2 Process for the manufacture of dabigatran etexilate BOEHRINGER INGELHEIM INTERNATIONAL GBMH (DE) 2015-03-31 US disclosed
EP-2297132-B1 METHOD FOR MANUFACTURING AN INTERMEDIARY PRODUCT OF DABIGATRAN ETEXILATE BOEHRINGER INGELHEIM INT (DE) 2015-02-25 EP disclosed
US-20150011589-A1 PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE MESYLATE AND POLYMORPHS OF INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2015-01-08 US disclosed
US-20070185173-A1 Process for the Preparation of the Salts of 4-(Benzimidazolylmethylamino)-Benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-09 US disclosed
US-20070185333-A1 Process for the Preparation of 4-(Benzimidazolylmethylamino)-Benzamides and the Salts Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-09 US disclosed
WO-2007071742-A1 IMPROVED PROCESS FOR THE PREPARATION OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES AND THE SALTS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-28 WO disclosed
WO-2007071743-A1 IMPROVED PROCESS FOR THE PREPARATION OF THE SALTS OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-28 WO disclosed
US-20070149589-A1 Process for the Preparation of 4-(benzimidazolylmethylamino)benzamidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-28 US disclosed
US-7202368-B2 Process for the preparation of 4-(benzimidazolymethylamino) benzamidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-10 US disclosed
EP-1761510-A1 METHOD FOR PRODUCING 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-14 EP disclosed
US-20060004064-A1 Process for the preparation of 4-(benzimidazolymethylamino) benzamidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 US disclosed
WO-2006000353-A1 METHOD FOR PRODUCING 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 WO disclosed
EP-1609784-A1 Process for the preparation of 4-(benzimidazolylmethylamino)-benzamidines Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-12-28 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 (6 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-20070149589-A1 Process for the Preparation of 4-(benzimidazolylmethylamino)benzamidines DDC, PDK2, ACMSD KLK1 1162/4885KLK5 908/4885HSD17B10 689/4885
US-20070185173-A1 Process for the Preparation of the Salts of 4-(Benzimidazolylmethylamino)-Benzamides DDC, BCKDK, IL4I1 KLK1 1440/4885KLK5 443/4885HSD17B10 805/4885
US-20070185333-A1 Process for the Preparation of 4-(Benzimidazolylmethylamino)-Benzamides and the Salts Thereof DDC, BCKDK, ODC1 KLK1 1611/4885KLK5 648/4885HSD17B10 709/4885
US-20150011589-A1 PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE MESYLATE AND POLYMORPHS OF INTERMEDIATES THEREOF CYP1A2, CYP3A4, CYP2C9 KLK1 3876/4885KLK5 2686/4885HSD17B10 911/4885
US-20060004064-A1 Process for the preparation of 4-(benzimidazolymethylamino) benzamidines DDC, PDK2, ACMSD KLK1 1019/4885KLK5 763/4885HSD17B10 618/4885
US-20160039791-A1 METHOD FOR PRODUCING DABIGATRAN ETEXILATE METHANSULPHONATE VKORC1, VKORC1L1, MPST KLK1 2395/4885KLK5 3228/4885HSD17B10 904/4885

“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.