SCHEMBL2388501

SCHEMBL2388501

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.42
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ MAPK8 P45983 3/20 0.40
▸ AAK1 Q2M2I8 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ IDH1 O75874 3/20 0.39
▸ MAPK3 P27361 1/20 0.39
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ CAMK2D Q13557 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37

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
SCHEMBL2390633 0.84 CDK2 (0.47) MAPK1CCNA2CDK2PIM1CDK4
SCHEMBL2390628 0.79 CSNK2A1 (0.57) MAPK1CCNA2CDK2CDK4MTOR
SCHEMBL2387410 0.75 CAMK2D (0.52) MAPK1CCNA2CDK2CDK4MTOR
SCHEMBL27843897 0.72 DYRK1A (0.49) MAPK1CCNA2CDK2PIM1CDK4
SCHEMBL2330123 0.71 PLK1 (0.56) MAPK1CCNA2CDK2PIM1CDK4
SCHEMBL4892481 0.69 CAMK2D (0.53) MAPK1CCNA2CDK2PIM1CDK4
SCHEMBL2403389 0.69 CAMK2D (0.52) MAPK1CCNA2CDK2PIM1CDK4
SCHEMBL2333324 0.68 CDK2 (0.53) MAPK1CCNA2CDK2PIM1CDK4
SCHEMBL3647915 0.68 DKK1 (0.48) MAPK1GSK3BMAPK8MAPTCAMK2D
SCHEMBL38657570 0.67 IDO1 (0.51) CCNA2CDK2PIM1CDK4CCND3

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 MAPK1 1947/4885CCNA2 920/4885CDK2 2324/4885
US-20110301123-A1 Fungicidal Heterocyclic Amines PRMT9, MAOB, CYP2C9 MAPK1 1947/4885CCNA2 920/4885CDK2 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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