SCHEMBL1937589

SCHEMBL1937589

CCC(CO)Nc1nc(Cl)ncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR1 P34998 4/20 0.41
TP53 P04637 1/20 0.41
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
FYN P06241 2/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
CDK5 Q00535 5/20 0.36
DYRK1A Q13627 5/20 0.36
CDK5R1 Q15078 5/20 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
SCHEMBL20652358 0.90 CRHR1 (0.48) CRHR1STK17BSTK17AADORA3ADORA2A
SCHEMBL20640580 0.88 CRHR1 (0.39) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL28723217 0.86 KDM4E (0.43) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL29607551 0.86 KDM4E (0.43) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL14367850 0.85 MEN1 (0.45) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2818634 0.85 MEN1 (0.45) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2818636 0.85 MEN1 (0.45) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1937476 0.79 GLP1R (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL14670527 0.79 KDM4E (0.50) KDM4EALDH1A1MEN1POLBMAPT
SCHEMBL20640610 0.76 KCNH2 (0.35) ALDH1A1KMT2ASTK17BSTK17A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KDM4E 1081/4885NPC1 4644/4885HPGD 3259/4885

“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.