SCHEMBL14649086

SCHEMBL14649086

Cc1ncnc2[nH]cc(C#N)c12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 1/20 0.56
▸ TAB1 Q15750 1/20 0.56
▸ HSP90AB1 P08238 1/20 0.56
▸ ROCK2 O75116 6/20 0.51
▸ ROCK1 Q13464 6/20 0.51
▸ CDC42BPB Q9Y5S2 6/20 0.51
▸ CDC42BPA Q5VT25 4/20 0.51
▸ LRRK2 Q5S007 8/20 0.50
▸ CHUK O15111 3/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.49

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
Toyocamycin Aglycone SCHEMBL7698538 0.80 MAP3K7 (0.54) MAP3K7TAB1HSP90AB1ROCK2ROCK1
SCHEMBL19185239 0.79 MAP3K7 (0.54) MAP3K7TAB1HSP90AB1ROCK2ROCK1
SCHEMBL154683 0.79 CHUK (0.61) MAP3K7TAB1HSP90AB1ROCK2ROCK1
SCHEMBL17401156 0.78 MAP3K7 (0.56) MAP3K7TAB1HSP90AB1ROCK2ROCK1
SCHEMBL26068876 0.77 MAP3K7 (0.40) MAP3K7TAB1HSP90AB1ROCK2ROCK1
SCHEMBL9967152 0.75 AKT1 (0.46) HSP90AB1ROCK2LRRK2IRAK4
SCHEMBL14670863 0.75 MAP3K7 (0.52) MAP3K7TAB1HSP90AB1ROCK2ROCK1
SCHEMBL16190651 0.74 LRRK2 (0.67) HSP90AB1ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL12590787 0.73 CHUK (0.48) MAP3K7TAB1HSP90AB1ROCK2ROCK1
SCHEMBL12590786 0.73 MAP3K7 (0.51) MAP3K7TAB1HSP90AB1ROCK2ROCK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780843-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-10-10 — — US disclosed
US-11780843-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-10-10 — — US disclosed
WO-2021198955-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-10-07 — — WO disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
US-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2017-05-18 — — US disclosed
EP-3150609-A1 PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES Intellikine, LLC (US) 2017-04-05 — — EP disclosed
WO-2016001855-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2016-01-07 — — WO disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 — — US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 — — 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 (3 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-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MAP3K7 33/4885TAB1 606/4885HSP90AB1 811/4885
US-11780843-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 MAP3K7 2449/4885TAB1 2926/4885HSP90AB1 1341/4885
US-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R1, PIK3R4 MAP3K7 185/4885TAB1 446/4885HSP90AB1 3480/4885

“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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