SCHEMBL15828665

SCHEMBL15828665

CC(C)(C)c1cc2c(C#N)ccnc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ IKBKB O14920 2/20 0.43
▸ CHUK O15111 2/20 0.43
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ CDC42BPA Q5VT25 2/20 0.40
▸ CDC42BPB Q9Y5S2 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ LRRK2 Q5S007 5/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ NUDT1 P36639 1/20 0.35

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
SCHEMBL15646394 0.84 CDC7 (0.44) CDC7PIM1CDK9IKBKBCHUK
SCHEMBL15646135 0.82 CDC7 (0.47) CDC7PIM1CDK9IKBKBCHUK
SCHEMBL13507207 0.77 IKBKB (0.46) CDK9IKBKBCHUKCLK4CLK2
SCHEMBL3413744 0.76 IKBKB (0.45) CDC7PIM1CDK9IKBKBCHUK
SCHEMBL31420487 0.76 IKBKB (0.45) CDC7PIM1CDK9IKBKBCHUK
SCHEMBL1431235 0.76 IKBKB (0.45) IKBKBCHUKALDH1A1
SCHEMBL15652185 0.75 IKBKB (0.45) IKBKBCHUKALDH1A1KDM4E
SCHEMBL2215486 0.73 IKBKB (0.46) IKBKBCHUKAAK1
SCHEMBL24843391 0.72 CDC7 (0.44) CDC7PIM1CDK9IKBKBCHUK
SCHEMBL16897070 0.72 PIM1 (0.47) CDC7PIM1CDK9ROCK2ROCK1

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 16 patents. 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-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 — — US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 — — US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 — — US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 — — US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 — — US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 — — US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 — — US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 — — US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 — — US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 — — US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 — — US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 — — US disclosed
US-20130309277-A1 POLYMER MICELLES CONTAINING ANTHRACYCLINES FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2013-11-21 — — 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 (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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CDC7 145/4885PIM1 3612/4885CDK9 2769/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CDC7 145/4885PIM1 3612/4885CDK9 2769/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CDC7 145/4885PIM1 3612/4885CDK9 2769/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CDC7 145/4885PIM1 3612/4885CDK9 2769/4885
US-20130309277-A1 POLYMER MICELLES CONTAINING ANTHRACYCLINES FOR THE TREATMENT OF CANCER TOP2B, TOP2A, ABCB4 CDC7 1701/4885PIM1 1340/4885CDK9 2157/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CDC7 138/4885PIM1 3584/4885CDK9 2861/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CDC7 145/4885PIM1 3612/4885CDK9 2769/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 CDC7 148/4885PIM1 3728/4885CDK9 2749/4885

“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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