SCHEMBL2389573

SCHEMBL2389573

Clc1cc(-c2ccnc(NCC3CCOC3)n2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.44
DYRK1A Q13627 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
CLK1 P49759 3/20 0.42
CLK2 P49760 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
USP30 Q70CQ3 2/20 0.41
CLK3 P49761 1/20 0.41
CDK2 P24941 5/20 0.41
CCNA2 P20248 4/20 0.41
MAPK3 P27361 4/20 0.41
MAPK1 P28482 4/20 0.41
MTOR P42345 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MAP3K14 Q99558 1/20 0.39
SMG1 Q96Q15 1/20 0.39
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
CCNB2 O95067 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL2390459 0.80 KDM4E (0.48) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL2388344 0.77 MAPK1 (0.59) CDK2CCNA2MAPK3MAPK1RET
SCHEMBL2387413 0.77 CNR2 (0.45) CDK2CCNA2MAPK3MAPK1MTOR
SCHEMBL2389822 0.70 IKBKB (0.55) DYRK1ADYRK1BCDK2CCNA2MAPK3
SCHEMBL27843897 0.70 DYRK1A (0.49) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL26819168 0.69 KCNH3 (0.44) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL7449145 0.68 VCP (0.57) VCPCLK4USP30CDK2MAPK1
SCHEMBL2578413 0.67 HRH4 (0.55) VCPCLK4USP30CDK2MAPK1
SCHEMBL38657931 0.67 CDK2 (0.50) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL30850578 0.67 GRM4 (0.46) DYRK1ACLK4CLK1CLK2DYRK1B

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 VCP 3355/4885DYRK1A 3451/4885CLK4 4410/4885
US-20110301123-A1 Fungicidal Heterocyclic Amines PRMT9, MAOB, CYP2C9 VCP 3355/4885DYRK1A 3451/4885CLK4 4410/4885

“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.