SCHEMBL478641

SCHEMBL478641

O=Cc1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.49
F2 P00734 1/20 0.49
KCNJ1 P48048 4/20 0.46
ERN1 O75460 1/20 0.42
F11 P03951 7/20 0.42
KLKB1 P03952 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL29927629 1.00 NOTUM (0.49) NOTUMF2KCNJ1ERN1F11
SCHEMBL8004031 0.85 F2 (0.44) NOTUMF2F11KLKB1
SCHEMBL29141786 0.84 NOTUM (0.49) NOTUMF2F11KLKB1USP2
SCHEMBL10290211 0.82 NOTUM (0.46) NOTUMF2F11KLKB1
SCHEMBL478538 0.80 F11 (0.53) F11KLKB1
SCHEMBL30194022 0.80 F11 (0.53) F11KLKB1
SCHEMBL478536 0.80 F11 (0.53) F11KLKB1
SCHEMBL13554536 0.80 F11 (0.46) NOTUMF2F11KLKB1
SCHEMBL20109426 0.79 F11 (0.52) F11KLKB1
SCHEMBL14874260 0.79 F11 (0.51) F11KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199612-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-06-20 US disclosed
EP-4308227-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396473-A Imidazopyridinyl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2022197755-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2022197755-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-02 US disclosed
US-10239863-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-26 US disclosed
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-20 US disclosed
EP-2899183-B1 Substituted Tetrahydroisoquinoline Compounds as Factor Xia Inhibitors BRISTOL MYERS SQUIBB CO (US) 2018-09-19 EP disclosed
US-20180179180-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-28 US disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
CN-101784516-A Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2010-07-21 CN disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
CN-101605779-A Arylprop acid amides, aryl acrylamide, arylprop alkynyl amide or arylmethyl urea analogue as plasma thromboplastin antecedent A inhibitor BRISTOL MYERS SQUIBB CO (US) 2009-12-16 CN disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
EP-2102189-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2009-09-23 EP disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
WO-2008076805-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 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 (9 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-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 NOTUM 2445/4885F2 8/4885KCNJ1 2675/4885
US-20180179180-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI NOTUM 757/4885F2 4/4885KCNJ1 1271/4885
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS F12, TFPI, F11 NOTUM 2886/4885F2 9/4885KCNJ1 2688/4885
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors TFPI, F12, F11 NOTUM 559/4885F2 7/4885KCNJ1 622/4885
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 NOTUM 781/4885F2 11/4885KCNJ1 648/4885
US-10239863-B2 Factor XIa inhibitors F11, SERPINC1, TFPI NOTUM 757/4885F2 4/4885KCNJ1 1271/4885
US-20240199612-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK4 NOTUM 1321/4885F2 32/4885KCNJ1 367/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 NOTUM 1525/4885F2 4/4885KCNJ1 3864/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 NOTUM 2445/4885F2 8/4885KCNJ1 2675/4885

“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.