SCHEMBL4890665

SCHEMBL4890665

O=C(Nc1nc(C(=O)NC2CCN(Cc3c[nH]c4ccccc34)CC2)cs1)c1ccsc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 6/20 0.50
KRAS P01116 1/20 0.50
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
MAPKAPK2 P49137 7/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2D6 P10635 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 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
SCHEMBL4890287 0.89 SOS1 (0.52) SOS1KRASADRA2AADRA2BADRA2C
SCHEMBL4889967 0.88 MAPKAPK2 (0.55) SOS1KRASADRA2AADRA2BADRA2C
SCHEMBL4893059 0.86 SLC6A12 (0.53) SOS1KRASADRA2AADRA2BADRA2C
SCHEMBL4879370 0.85 MAPKAPK2 (0.52) SOS1KRASADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL4895600 0.84 MAPKAPK2 (0.51) SOS1KRASADRA2AADRA2BADRA2C
SCHEMBL4885734 0.73 MAPKAPK2 (0.62) MAPKAPK2SIGMAR1CYP2D6DRD4
SCHEMBL11311140 0.72 SOS1 (0.73) SOS1KRASADRA2AADRA2BADRA2C
SCHEMBL4889803 0.72 PRKAA2 (0.59) MAPKAPK2SIGMAR1CYP2D6DRD2DRD4
SCHEMBL4886641 0.71 MAPKAPK2 (0.52) MAPKAPK2DRD4
SCHEMBL4889804 0.71 MAPKAPK2 (0.60) MAPKAPK2SIGMAR1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US claimed
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US disclosed
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 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-20080039499-A1 Chemical Compounds CCR1, CCL11, CXCR1 SOS1 2122/4885KRAS 590/4885ADRA2A 1387/4885

“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.