SCHEMBL1783841

SCHEMBL1783841

Nc1cnc(Cl)nc1NC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
HRH3 Q9Y5N1 1/20 0.46
AXL P30530 2/20 0.40
IKBKB O14920 1/20 0.40
CYP1A2 P05177 4/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CHEK1 O14757 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
CTSC P53634 1/20 0.38
TYRO3 Q06418 2/20 0.37

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
SCHEMBL19654457 0.89 KMT2A (0.55) KMT2AAXLCLK4
SCHEMBL1783010 0.86 KMT2A (0.65) KMT2AAXLMEN1HSD17B10
SCHEMBL17196933 0.84 KMT2A (0.51) KMT2AHRH3AXLIKBKBCYP1A2
SCHEMBL12069200 0.84 KMT2A (0.68) KMT2AAXLMEN1
SCHEMBL12526937 0.82 KMT2A (0.73) KMT2AHRH3AXLIKBKBCYP1A2
SCHEMBL21593674 0.82 KMT2A (0.49) KMT2AAXLALDH1A1
SCHEMBL12067756 0.82 MAPK1 (0.50) KMT2AAXLCCNT1
SCHEMBL21593675 0.82 KMT2A (0.49) KMT2AAXLTYRO3MERTKFLT3
Hydrochloric Acid SCHEMBL1748456 0.81 KMT2A (0.71) KMT2AHRH3AXLIKBKBCYP1A2
SCHEMBL21593576 0.81 KMT2A (0.48) KMT2AAXLCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 KMT2A 3089/4885HRH3 3561/4885AXL 879/4885

“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.