SCHEMBL478475

SCHEMBL478475

Clc1ccc(-n2cnnn2)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.53
F2 P00734 1/20 0.53
USP2 O75604 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
F11 P03951 1/20 0.38
KLK1 P06870 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL11117017 0.86 NOTUM (0.56) NOTUMF2USP2ALDH1A1KMT2A
SCHEMBL30136136 0.79 NOTUM (0.53) NOTUMF2USP2ALDH1A1KMT2A
SCHEMBL29958128 0.79 NOTUM (0.53) NOTUMF2USP2ALDH1A1KMT2A
SCHEMBL29757989 0.79 NOTUM (0.53) NOTUMF2ALDH1A1KMT2AKDM4E
SCHEMBL16615357 0.79 NOTUM (0.53) NOTUMF2USP2ALDH1A1KMT2A
SCHEMBL23466554 0.79 NOTUM (0.53) NOTUMF2ALDH1A1KMT2AKDM4E
SCHEMBL3009848 0.79 NOTUM (0.53) NOTUMF2USP2ALDH1A1KMT2A
SCHEMBL8177591 0.79 NOTUM (0.53) NOTUMF2USP2ALDH1A1KMT2A
SCHEMBL29141786 0.79 NOTUM (0.49) NOTUMF2USP2ALDH1A1KMT2A
SCHEMBL10290211 0.76 NOTUM (0.46) NOTUMF2F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3247354-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-10123995-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-11-13 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-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-19 US disclosed
US-20180000795-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 US disclosed
EP-3247354-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-29 EP disclosed
US-20170305880-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 US disclosed
US-9783530-B2 Factor Xla inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 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
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed
CN-101341129-A Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-07 CN disclosed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 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
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 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 (8 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 8/4885USP2 1152/4885
US-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors F12, TFPI, F11 NOTUM 1548/4885F2 6/4885USP2 4242/4885
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS F12, TFPI, F11 NOTUM 2886/4885F2 9/4885USP2 1352/4885
US-20170305880-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 NOTUM 781/4885F2 11/4885USP2 4131/4885
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors TFPI, F12, F11 NOTUM 559/4885F2 7/4885USP2 3979/4885
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 NOTUM 781/4885F2 11/4885USP2 4131/4885
US-10123995-B2 Factor XIa inhibitors F11, SERPINC1, TFPI NOTUM 757/4885F2 4/4885USP2 2818/4885
US-20180000795-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI NOTUM 757/4885F2 4/4885USP2 2818/4885

“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.