SCHEMBL2388443

SCHEMBL2388443

COCC(C)Nc1nccc(-c2ccnc(Nc3c(C)cccc3Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.41
▸ CAMK2D Q13557 4/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ MAPK13 O15264 2/20 0.41
▸ MAPK12 P53778 2/20 0.41
▸ MAPK11 Q15759 2/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ HIPK2 Q9H2X6 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40

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
SCHEMBL2389030 0.83 CSNK2A1 (0.56) CAMK2DCDK2MAPTCSNK2A1PIK3CA
SCHEMBL16496154 0.80 CAMK2D (0.54) MAPK14CAMK2DCDK2MAPK13MAPK12
SCHEMBL2390633 0.79 CDK2 (0.47) MAPK14CDK2CLK4MAPK13MAPK12
SCHEMBL6107479 0.78 CSNK2A1 (0.62) CAMK2DCDK2MAPTCSNK2A1PIK3CA
SCHEMBL14581972 0.76 CAMK2D (0.56) CAMK2DCDK2CLK4CDC7ROCK2
SCHEMBL2403389 0.75 CAMK2D (0.52) MAPK14CAMK2DCDK2CLK4MAPK13
SCHEMBL2388097 0.73 MAPK1 (0.49) CDK2MAPK1CCNA2MAPK3
SCHEMBL2390632 0.72 CAMK2D (0.50) MAPK14CAMK2DCDK2MAPK13MAPK12
SCHEMBL6106440 0.71 MAPT (0.55) CAMK2DCDK2CLK4CDC7ROCK2
SCHEMBL2390628 0.71 CSNK2A1 (0.57) CAMK2DCDK2MAPTCSNK2A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205086-B1 FUNGICIDAL HETEROCYCLIC AMINES DU PONT (US) 2013-08-14 — — EP disclosed
US-20110301123-A1 Fungicidal Heterocyclic Amines E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-08 — — US disclosed
US-8026359-B2 Fungicidal heterocyclic amines E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-27 — — US disclosed
US-20100267729-A1 FUNGICIDAL HETEROCYCLIC AMINES E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2010-10-21 — — US disclosed
EP-2205086-A2 FUNGICIDAL HETEROCYCLIC AMINES E. I. du Pont de Nemours and Company (US) 2010-07-14 — — EP disclosed
WO-2009061761-A2 FUNGICIDAL HETEROCYCLIC AMINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-14 — — 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 (2 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-20100267729-A1 FUNGICIDAL HETEROCYCLIC AMINES PRMT9, MAOB, CYP2C9 MAPK14 3681/4885CAMK2D 4032/4885CDK2 2324/4885
US-20110301123-A1 Fungicidal Heterocyclic Amines PRMT9, MAOB, CYP2C9 MAPK14 3681/4885CAMK2D 4032/4885CDK2 2324/4885

“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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