SCHEMBL3476018

SCHEMBL3476018

CCC(COC)Nc1cc(-c2ccnc(Nc3ccnc(Cl)c3)n2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ CAMK2D Q13557 10/20 0.46
▸ CSNK2A1 P68400 2/20 0.45
▸ CDK2 P24941 3/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ MTOR P42345 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CCNH P51946 1/20 0.43

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 0.88 CAMK2D (0.52) MAPTCAMK2DCSNK2A1CDK2CDK4
SCHEMBL14581972 0.77 CAMK2D (0.56) MAPTCAMK2DCSNK2A1CDK2CDK4
SCHEMBL2330123 0.77 PLK1 (0.56) MAPTCAMK2DCSNK2A1CDK2CDK4
SCHEMBL6107479 0.77 CSNK2A1 (0.62) MAPTCAMK2DCSNK2A1CDK2CDK4
SCHEMBL2390633 0.73 CDK2 (0.47) MAPTCDK2CDK4CCNA2MTOR
SCHEMBL2333324 0.71 CDK2 (0.53) MAPTCAMK2DCSNK2A1CDK2CDK4
SCHEMBL2326806 0.71 AAK1 (0.36) MAPTCDK2CDK4CCNA2MTOR
SCHEMBL2389030 0.71 CSNK2A1 (0.56) MAPTCAMK2DCSNK2A1CDK2CDK4
SCHEMBL27843897 0.70 DYRK1A (0.49) MAPTCAMK2DCSNK2A1CDK2CDK4
SCHEMBL6106440 0.70 MAPT (0.55) MAPTCAMK2DCSNK2A1CDK2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273759-B2 Fungicide heterocyclyl-pyrimidinyl-amino derivatives BAYER CROPSCIENCE AG (DE) 2012-09-25 — — US disclosed
US-20100204229-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-08-12 — — 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 (1 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-20100204229-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES PAH, CYP4X1, PRXL2A MAPT 4430/4885CAMK2D 4240/4885CSNK2A1 4322/4885

“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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