SCHEMBL2391963

SCHEMBL2391963

Clc1nccc(-c2ncnc(Cl)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
TGFBR1 P36897 1/20 0.30
RPS6KA5 O75582 1/20 0.30
MAP4K4 O95819 1/20 0.30
KMO O15229 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL18171776 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL30438289 0.79 MEN1 (0.37) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL26289615 0.79 MEN1 (0.37) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL11614203 0.78 MEN1 (0.39) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL27463611 0.76 KDM4E (0.57) MAPTNPC1RAB9A
SCHEMBL14214763 0.76 IDH1 (0.40)
SCHEMBL1271374 0.71
SCHEMBL2324857 0.71 IDO1 (0.45) MAP4K4
SCHEMBL17601433 0.69 HSP90AA1 (0.41) GABRA1GABRG2GABRB3GABRA3MEN1
SCHEMBL445042 0.68 MEN1 (0.59) GABRA1GABRG2GABRB3GABRA3MEN1

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 GABRA1 2896/4885GABRG2 2297/4885GABRB3 2651/4885
US-20110301123-A1 Fungicidal Heterocyclic Amines PRMT9, MAOB, CYP2C9 GABRA1 2896/4885GABRG2 2297/4885GABRB3 2651/4885

“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.