SCHEMBL2389236

SCHEMBL2389236

Fc1cccc(Nc2cc(I)ncn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
MAPK10 P53779 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EGFR P00533 8/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
RAB9A P51151 3/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.44
ABL1 P00519 2/20 0.44
ABL2 P42684 1/20 0.44
ABCC1 P33527 1/20 0.43
TNNI3K Q59H18 1/20 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
SCHEMBL2279563 0.81 MEN1 (0.56) MEN1KMT2AMAPK1HTTKDM4E
SCHEMBL16250487 0.81 TP53 (0.62) HTTEGFRABCG2MAPT
SCHEMBL2177111 0.77 EGFR (0.70) MEN1KMT2AMAPK1HTTKDM4E
SCHEMBL27323499 0.76 MEN1 (0.51) MEN1KMT2AMAPK1HTTKDM4E
SCHEMBL2174568 0.75 EGFR (0.71) MEN1KMT2AMAPK1HTTKDM4E
SCHEMBL8797947 0.75 TNNI3K (0.52) MEN1KMT2AMAPK1HTTKDM4E
SCHEMBL27334586 0.74 SMN1; SMN2 (0.62) MEN1KMT2AMAPK1HTTKDM4E
SCHEMBL30199999 0.73 MAPK1 (0.48) MEN1KMT2AMAPK1HTTKDM4E
SCHEMBL30675253 0.72 RAPGEF4 (0.61) MEN1KMT2AEGFRABCG2RAB9A
SCHEMBL392473 0.72 RAPGEF4 (0.61) MEN1KMT2AEGFRABCG2RAB9A

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 MEN1 1336/4885KMT2A 1339/4885MAPK1 1947/4885
US-20110301123-A1 Fungicidal Heterocyclic Amines PRMT9, MAOB, CYP2C9 MEN1 1336/4885KMT2A 1339/4885MAPK1 1947/4885

“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.