SCHEMBL2389822

SCHEMBL2389822

Clc1cc(-c2ccnc(NC3CCCC3)n2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.55
MAPK9 P45984 5/20 0.53
MAPK8 P45983 4/20 0.53
MAPK10 P53779 4/20 0.53
AURKA O14965 1/20 0.51
TTK P33981 1/20 0.51
AURKB Q96GD4 1/20 0.51
INCENP Q9NQS7 1/20 0.51
RET P07949 1/20 0.51
EIF2AK2 P19525 1/20 0.51
CDK1 P06493 6/20 0.50
CDK2 P24941 6/20 0.50
CCNB1 P14635 5/20 0.50
CCNA2 P20248 4/20 0.50
CDK4 P11802 3/20 0.50
CCND1 P24385 3/20 0.50
CCNA1 P78396 3/20 0.50
GSK3B P49841 2/20 0.50
CDC7 O00311 2/20 0.50
MAP4K4 O95819 2/20 0.50

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
Cyclopentanamine SCHEMBL3653733 0.94 IKBKB (0.50) IKBKBMAPK9MAPK8MAPK10AURKA
SCHEMBL2388344 0.88 MAPK1 (0.59) IKBKBRETCDK2CCNA2MAPK1
SCHEMBL1033923 0.83 IKBKB (0.59) IKBKBMAPK9MAPK8MAPK10AURKA
SCHEMBL3619159 0.83 ADORA1 (0.59) IKBKBMAPK9MAPK8MAPK10RET
SCHEMBL1030530 0.83 ADORA1 (0.59) IKBKBMAPK9MAPK8MAPK10RET
SCHEMBL1033674 0.82 CDK1 (0.57) IKBKBMAPK9MAPK8MAPK10AURKA
SCHEMBL1032138 0.82 IKBKB (0.76) IKBKBMAPK9MAPK8MAPK10EIF2AK2
SCHEMBL1034791 0.81 MAPK1 (0.54) IKBKBMAPK9MAPK8MAPK10CDK1
SCHEMBL3643870 0.80 MAPK10 (0.58) IKBKBMAPK9MAPK8MAPK10AURKA
SCHEMBL1034404 0.79 CDK1 (0.51) IKBKBMAPK9MAPK8MAPK10AURKA

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 IKBKB 3512/4885MAPK9 146/4885MAPK8 3079/4885
US-20110301123-A1 Fungicidal Heterocyclic Amines PRMT9, MAOB, CYP2C9 IKBKB 3512/4885MAPK9 146/4885MAPK8 3079/4885

“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.