SCHEMBL4086882

SCHEMBL4086882

O=C(S)N1CCN(c2ncnc3[nH]c4ccc(Cl)cc4c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
MAP2K7 O14733 3/20 0.51
KIT P10721 10/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AKT1 P31749 4/20 0.45
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL4086883 0.85 MAP2K7 (0.52) HPGDSMN1; SMN2GAAMAP2K7KIT
SCHEMBL4086517 0.81 MAP2K7 (0.57) HPGDSMN1; SMN2GAAMAP2K7KDM4E
SCHEMBL13938385 0.80 KIT (0.53) HPGDSMN1; SMN2GAAKITLMNA
SCHEMBL4082603 0.80 KRAS (0.44) MAP2K7KITAKT1
SCHEMBL3126359 0.79 PDGFRA (0.56) MAP2K7KITKDM4EALDH1A1
SCHEMBL13938416 0.79 PDGFRB (0.53) MAP2K7KIT
SCHEMBL13962111 0.79 PDGFRB (0.53) MAP2K7KIT
SCHEMBL13938364 0.78 KIT (0.49) HPGDSMN1; SMN2GAAKIT
SCHEMBL14196561 0.78 PDGFRB (0.55) MAP2K7KITAKT1
SCHEMBL13938538 0.77 LMNA (0.58) HPGDSMN1; SMN2GAAMAP2K7KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 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 (2 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL HPGD 4263/4885SMN1; SMN2 3097/4885GAA 2375/4885
US-20090029982-A1 PROTEIN KINASE INHIBITORS CDK2, PACSIN2, AKT1 HPGD 2141/4885SMN1; SMN2 3080/4885GAA 2353/4885

“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.