SCHEMBL761143

SCHEMBL761143

CC(C)(C)c1ccc2ccc(=O)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA3 P07451 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA6 P23280 1/20 0.48
▸ CA5A P35218 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA13 Q8N1Q1 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ CA5B Q9Y2D0 1/20 0.48
▸ KIF11 P52732 5/20 0.44
▸ SCN10A Q9Y5Y9 5/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ F11 P03951 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL762006 0.87 CA12 (0.59) CA12CA9CA1CA3CA4
SCHEMBL20660889 0.81 KIF11 (0.63) CA12CA9CA1CA3CA4
SCHEMBL30946289 0.81 KIF11 (0.63) CA12CA9CA1CA3CA4
SCHEMBL8957566 0.74 KIF11 (0.46) KIF11SCN10AKCNH2ALDH1A1METAP2
SCHEMBL8957545 0.74 KIF11 (0.46) KIF11SCN10AKCNH2ALDH1A1METAP2
SCHEMBL18021726 0.74 KDM4E (0.59) KIF11ALDH1A1
SCHEMBL436560 0.74 CA12 (0.74) CA12CA9CA1CA3CA4
SCHEMBL12755392 0.73 AOC3 (0.48) KIF11SCN10AKCNH2ALDH1A1METAP2
SCHEMBL2054571 0.72 KIF11 (0.47) KIF11SCN10AKCNH2NPC1ALDH1A1
SCHEMBL2054590 0.72 GRIN2D (0.50) KIF11SCN10AKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 — — US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 — — US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 — — US disclosed
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-01-31 — — US disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 — — US disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 — — US disclosed
US-9951088-B2 D2 receptor modulators and methods of use thereof in the treatment of diseases and disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-04-24 — — US disclosed
US-9951088-B2 D2 receptor modulators and methods of use thereof in the treatment of diseases and disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-04-24 — — US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 — — US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 — — US disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 — — US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 — — US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 — — US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 — — US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 — — US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 — — US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 — — US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 — — US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 — — US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 — — US 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 (11 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 CA12 4760/4885CA9 4679/4885CA1 4364/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA9 1916/4885CA1 2361/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 CA12 4760/4885CA9 4679/4885CA1 4364/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 CA12 4660/4885CA9 4026/4885CA1 3922/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 CA12 4660/4885CA9 4026/4885CA1 3922/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 CA12 4760/4885CA9 4679/4885CA1 4364/4885
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU CA12 4494/4885CA9 4735/4885CA1 3416/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3657/4885CA9 1913/4885CA1 2406/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 CA12 3803/4885CA9 2089/4885CA1 2453/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 CA12 4660/4885CA9 4026/4885CA1 3922/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 CA12 1208/4885CA9 1205/4885CA1 782/4885

“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.

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