SCHEMBL1783130

SCHEMBL1783130

Nc1cnc(Cl)nc1NC1CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
PAK1 Q13153 14/20 0.41
AXL P30530 1/20 0.39
BTK Q06187 2/20 0.38
EGFR P00533 1/20 0.38
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
ADORA3 P0DMS8 1/20 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
SCHEMBL3190443 0.93 KMT2A (0.39) KMT2APAK1BTK
SCHEMBL22439077 0.87 KMT2A (0.45) KMT2APAK1AXLBTKEGFR
SCHEMBL1694067 0.85 JAK3 (0.44) KMT2ABTKEGFR
SCHEMBL1782933 0.83 ALDH1A1 (0.51) BTK
SCHEMBL19654457 0.82 KMT2A (0.55) KMT2AAXLADORA3
SCHEMBL1784631 0.81 PIN1 (0.48) KMT2APAK1AXLBTKEGFR
SCHEMBL16494261 0.81 PAK1 (0.39) KMT2APAK1BTKEGFRNOS1
SCHEMBL19665733 0.80 MAPK8 (0.47) BTKEGFRADORA3
SCHEMBL19665675 0.80 HDAC3 (0.45) AXLBTKEGFR
SCHEMBL1783010 0.79 KMT2A (0.65) KMT2AAXLADORA3

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 3089/4885PAK1 401/4885AXL 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.