SCHEMBL2390633

SCHEMBL2390633

COCC(C)Nc1nccc(-c2ccnc(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ PIM1 P11309 2/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ HIPK2 Q9H2X6 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ MAPK14 Q16539 4/20 0.46
▸ MAPK13 O15264 2/20 0.46
▸ MAPK12 P53778 2/20 0.46
▸ MAPK11 Q15759 2/20 0.46
▸ MAPK1 P28482 4/20 0.44
▸ CCNA2 P20248 3/20 0.44
▸ MAPK3 P27361 2/20 0.44
▸ MAPK8 P45983 1/20 0.42
▸ AAK1 Q2M2I8 5/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL2403389 0.84 CAMK2D (0.52) CDK2CLK4PIM1GSK3BCDC7
SCHEMBL2388501 0.84 MAPK1 (0.42) CDK2CLK4PIM1GSK3BMAPK1
SCHEMBL2389030 0.80 CSNK2A1 (0.56) CDK2MAPK1CCNA2MAPTCDK4
SCHEMBL27843897 0.79 DYRK1A (0.49) CDK2CLK4PIM1GSK3BMAPK1
SCHEMBL4029190 0.79 ROCK2 (0.53) CDK2CLK4PIM1GSK3BCDC7
SCHEMBL2388443 0.79 MAPK14 (0.41) CDK2CLK4PIM1GSK3BCDC7
SCHEMBL14581972 0.78 CAMK2D (0.56) CDK2CLK4PIM1GSK3BCDC7
SCHEMBL16496154 0.75 CAMK2D (0.54) CDK2CDC7MAPK14MAPK13MAPK12
SCHEMBL6107479 0.75 CSNK2A1 (0.62) CDK2MAPK1CCNA2MAPTCDK4
SCHEMBL6106440 0.74 MAPT (0.55) CDK2CLK4PIM1GSK3BCDC7

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 CDK2 2324/4885CLK4 4410/4885PIM1 1905/4885
US-20110301123-A1 Fungicidal Heterocyclic Amines PRMT9, MAOB, CYP2C9 CDK2 2324/4885CLK4 4410/4885PIM1 1905/4885

“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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