SCHEMBL6528468

SCHEMBL6528468

[AsH2]C1CCN(c2ncnc3ccccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
HTT P42858 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
HRH1 P35367 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
PTK2 Q05397 1/20 0.65
HRH4 Q9H3N8 1/20 0.65
NCOA3 Q9Y6Q9 1/20 0.52
KIT P10721 1/20 0.52
PDGFRA P16234 1/20 0.52
FLT3 P36888 1/20 0.52
SORD Q00796 1/20 0.51
GBA1 P04062 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
AKT1 P31749 4/20 0.46
AKT2 P31751 4/20 0.46
AKT3 Q9Y243 4/20 0.46
MALT1 Q9UDY8 1/20 0.46

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
SCHEMBL2798904 0.86 LMNA (0.71) LMNAHTTSMN1; SMN2HRH1HRH3
Hydrochloric Acid SCHEMBL8131399 0.83 LMNA (0.97) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL11015775 0.83 PTK2 (0.73) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL785334 0.82 LMNA (0.70) LMNAHTTSMN1; SMN2HRH1HRH3
Hydrochloric Acid SCHEMBL8131396 0.82 LMNA (0.70) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL30821993 0.81 PTK2 (0.71) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL6569122 0.81 PTK2 (0.71) LMNAHTTSMN1; SMN2HRH1HRH3
Hydrochloric Acid SCHEMBL8690819 0.81 LMNA (0.72) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL2795640 0.81 LMNA (0.64) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL2203931 0.80 PTK2 (0.69) LMNAHTTSMN1; SMN2HRH1HRH3

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-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 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-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 LMNA 1761/4885HTT 4100/4885SMN1; SMN2 4501/4885

“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.