SCHEMBL1937064

SCHEMBL1937064

COCC(C)Nc1nc(Cl)ncc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CDK1 P06493 10/20 0.39
KDR P35968 10/20 0.39
CDK2 P24941 10/20 0.39
TP53 P04637 2/20 0.38
HCAR3 P49019 1/20 0.38
CA2 P00918 3/20 0.36
CDK4 P11802 2/20 0.36
CDK7 P50613 2/20 0.36
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
CCND1 P24385 1/20 0.36
CCNH P51946 1/20 0.36
CCNB1 P14635 2/20 0.36
CCNE1 P24864 2/20 0.36

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
SCHEMBL13649004 1.00 MEN1 (0.42) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL1935476 0.85 KDM4E (0.45) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL13649098 0.83 CDK1 (0.55) MEN1KMT2ACDK1KDRCDK2
SCHEMBL3573431 0.83 CDK1 (0.55) MEN1KMT2ACDK1KDRCDK2
SCHEMBL23154132 0.83 MEN1 (0.48) MEN1KMT2ANPC1RAB9ATRPM8
SCHEMBL3450503 0.83 MEN1 (0.48) MEN1KMT2ANPC1RAB9ATRPM8
SCHEMBL1775091 0.82 CDK1 (0.51) MEN1KMT2ACDK1KDRCDK2
SCHEMBL13649034 0.82 CDK1 (0.51) MEN1KMT2ACDK1KDRCDK2
SCHEMBL1775088 0.82 CDK1 (0.51) MEN1KMT2ACDK1KDRCDK2
SCHEMBL13649022 0.82 CDK1 (0.41) MEN1KMT2ACDK1KDRCDK2

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
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US disclosed
EP-2331524-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2010025831-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 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-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C MEN1 2284/4885KMT2A 1758/4885KDM4E 1081/4885
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides H1-10, POLL, PPM1D MEN1 2221/4885KMT2A 1011/4885KDM4E 1693/4885

“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.