SCHEMBL459529

SCHEMBL459529

Cc1ncc(NC(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.42
RAB9A P51151 8/20 0.41
MAPT P10636 2/20 0.41
NTRK1 P04629 1/20 0.40
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
IDO1 P14902 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MITF O75030 1/20 0.36
XBP1 P17861 1/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL12609263 0.84 TDP1 (0.56) RAB9AMAPTNPC1SMN1; SMN2TDP1
SCHEMBL30863732 0.82 KIF11 (0.52) P4HTMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19776114 0.82 RAB9A (0.41) P4HTMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19776253 0.80 SMN1; SMN2 (0.48) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL21695341 0.80 P4HTM (0.39) P4HTMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL25413921 0.79 KCNQ3 (0.50) P4HTMRAB9ANPC1SMN1; SMN2KCNQ3
SCHEMBL2222617 0.79 P4HTM (0.38) P4HTMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL22341948 0.79 RAB9A (0.40) P4HTMRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL22289329 0.79 P4HTM (0.38) P4HTMRAB9AMAPTNTRK1NPC1
SCHEMBL19151034 0.79 POLB (0.50) RAB9AMAPTNPC1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-19 US claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN claimed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US claimed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
EP-3484894-B1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US claimed
EP-3484894-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS Bristol-Myers Squibb Company (US) 2019-05-22 EP claimed
WO-2018013776-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO claimed
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-19 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN disclosed
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
WO-2018013776-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
US-9771359-B1 Substituted oxazole- and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II MEDIFRON DBT INC. (KR) 2017-09-26 US disclosed
US-20170253586-A1 Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II MEDIFRON DBT INC. (KR) 2017-09-07 US disclosed
CN-103396399-B Nitrogenated aromatic 6-membered ring derivative, and pharmaceutical agent comprising same DAIICHI SANKYO CO LTD 2015-04-29 CN disclosed
WO-2012010578-A1 SUBSTITUTED METHYL-PYRIMIDIN-5-YL CARBAMATES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 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 (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-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, PF4 P4HTM 969/4885RAB9A 811/4885MAPT 1825/4885
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R P4HTM 954/4885RAB9A 831/4885MAPT 1726/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT P4HTM 1259/4885RAB9A 814/4885MAPT 582/4885
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, PARP14, F2R P4HTM 1050/4885RAB9A 759/4885MAPT 1895/4885
US-20170253586-A1 Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II TRPV1, TRPV2, GPR17 P4HTM 716/4885RAB9A 4562/4885MAPT 1740/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 P4HTM 1036/4885RAB9A 748/4885MAPT 1155/4885

“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.