SCHEMBL1820783

SCHEMBL1820783

CNC(C=O)N1CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15994489 0.80 LMNA (0.33)
SCHEMBL11003030 0.80 CHRM5 (0.36) CHRM5CHRM3
Hydrochloric Acid SCHEMBL15526739 0.78 LMNA (0.32)
Hydrochloric Acid SCHEMBL15526661 0.77 LMNA (0.35) MEN1KMT2A
Hydrochloric Acid SCHEMBL15526993 0.75 CHRM2 (0.31) CHRM5CHRM3
SCHEMBL1819138 0.71 CHRM2 (0.34) CHRM5CHRM3MEN1KMT2A
SCHEMBL361322 0.70 MEN1 (0.35) MEN1KMT2A
SCHEMBL16495279 0.70 ADRB1 (0.43) MEN1KMT2A
SCHEMBL930621 0.69 MEN1 (0.34) CHRM5CHRM3MEN1KMT2A
SCHEMBL27862956 0.67 CYP2D6 (0.35) CHRM3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101511798-B [4,5'] bipyrimidinyl-6, 4' -diamine derivatives as protein kinase inhibitors IRM LLC 2011-11-02 CN claimed
US-8026243-B2 [4,5′]Bipyrimidinyl-6,4′-diamine derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US claimed
EP-2044036-B1 [4,5']BIPYRIMIDINYL-6,4'-DIAMINE DERIVATIVES AS PROTEIN KINASE INHBITORS IRM LLC (BM) 2011-05-04 EP claimed
US-20100234376-A1 [4,5']Bipyrimidinyl-6,4'-Diamine Deriviatives as Protein Kinase Inhibitors NOVARTIS AG 2010-09-16 US claimed
EP-2044036-A1 [4,5']BIPYRIMIDINYL-6,4'-DIAMINE DERIVATIVES AS PROTEIN KINASE INHBITORS IRM, LLC (BM) 2009-04-08 EP claimed
WO-2008008747-A1 [4,5']BIPYRIMIDINYL-6,4'-DIAMINE DERIVATIVES AS PROTEIN KINASE INHBITORS IRM LLC (BM) 2008-01-17 WO claimed
CN-101511798-B [4,5'] bipyrimidinyl-6, 4' -diamine derivatives as protein kinase inhibitors IRM LLC 2011-11-02 CN disclosed
US-8026243-B2 [4,5′]Bipyrimidinyl-6,4′-diamine derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed
EP-2044036-B1 [4,5']BIPYRIMIDINYL-6,4'-DIAMINE DERIVATIVES AS PROTEIN KINASE INHBITORS IRM LLC (BM) 2011-05-04 EP disclosed
US-20100234376-A1 [4,5']Bipyrimidinyl-6,4'-Diamine Deriviatives as Protein Kinase Inhibitors NOVARTIS AG 2010-09-16 US disclosed
EP-2044036-A1 [4,5']BIPYRIMIDINYL-6,4'-DIAMINE DERIVATIVES AS PROTEIN KINASE INHBITORS IRM, LLC (BM) 2009-04-08 EP disclosed
WO-2008008747-A1 [4,5']BIPYRIMIDINYL-6,4'-DIAMINE DERIVATIVES AS PROTEIN KINASE INHBITORS IRM LLC (BM) 2008-01-17 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-20100234376-A1 [4,5']Bipyrimidinyl-6,4'-Diamine Deriviatives as Protein Kinase Inhibitors FGFR3, ERBB2, ERBB4 CHRM5 4553/4885CHRM3 4497/4885MEN1 2108/4885

“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.