SCHEMBL2390459

SCHEMBL2390459

Clc1cc(-c2ccnc(NCC3CCCO3)n2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
TSHR P16473 3/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPK1 P28482 3/20 0.48
TP53 P04637 2/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
KCNH3 Q9ULD8 2/20 0.46
LCK P06239 1/20 0.43
KDR P35968 1/20 0.43
JAK3 P52333 1/20 0.43
TNK2 Q07912 1/20 0.43
CLK1 P49759 2/20 0.42
CLK2 P49760 2/20 0.42
DYRK1A Q13627 2/20 0.42

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
SCHEMBL2389573 0.80 VCP (0.44) MAPK1CLK1CLK2DYRK1ACLK4
SCHEMBL2389156 0.77 KCNH3 (0.47) KDM4EHPGDTSHRHSD17B10MAPK1
SCHEMBL4812588 0.75 KCNH3 (0.58) KDM4EHPGDTSHRHSD17B10MAPK1
SCHEMBL2389822 0.73 IKBKB (0.55) MAPK1KDRJAK3DYRK1ADYRK1B
SCHEMBL2571027 0.73 KCNH3 (0.58) KDM4EHPGDTSHRHSD17B10MAPK1
SCHEMBL13039319 0.73 HPGD (0.45) KDM4EHPGDTSHRHSD17B10MAPK1
SCHEMBL2388344 0.72 MAPK1 (0.59) MAPK1CCNT1
Water SCHEMBL4690707 0.72 KCNH3 (0.57) KDM4EHPGDTSHRHSD17B10MAPK1
SCHEMBL992885 0.70 CDC7 (0.63) MAPK1LCKKDRJAK3TNK2
SCHEMBL27843897 0.70 DYRK1A (0.49) MAPK1CLK1CLK2DYRK1ACLK4

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 KDM4E 829/4885HPGD 1245/4885TSHR 2012/4885
US-20110301123-A1 Fungicidal Heterocyclic Amines PRMT9, MAOB, CYP2C9 KDM4E 829/4885HPGD 1245/4885TSHR 2012/4885

“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.