SCHEMBL4879370

SCHEMBL4879370

O=C(Nc1nc(C(=O)NC2CCN(Cc3c[nH]c4ccccc34)CC2)cs1)c1ccc(F)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.52
SOS1 Q07889 6/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
KRAS P01116 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
ACKR3 P25106 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
Hydrochloric Acid SCHEMBL4895600 0.99 MAPKAPK2 (0.51) MAPKAPK2SOS1BCHEACHEKRAS
SCHEMBL4890287 0.90 SOS1 (0.52) MAPKAPK2SOS1BCHEACHEKRAS
SCHEMBL4889967 0.89 MAPKAPK2 (0.55) MAPKAPK2SOS1BCHEACHEKRAS
SCHEMBL4886641 0.88 MAPKAPK2 (0.52) MAPKAPK2ACKR3
SCHEMBL4881110 0.86 MAPKAPK2 (0.62) MAPKAPK2SIGMAR1ACKR3
SCHEMBL4893059 0.86 SLC6A12 (0.53) MAPKAPK2SOS1BCHEACHEKRAS
SCHEMBL4890665 0.85 SOS1 (0.50) MAPKAPK2SOS1BCHEACHEKRAS
SCHEMBL4887575 0.84 MAPKAPK2 (0.51) MAPKAPK2ACKR3
SCHEMBL4879391 0.82 MAPKAPK2 (0.51) MAPKAPK2ACKR3
SCHEMBL4886881 0.82 MAPKAPK2 (0.49) MAPKAPK2ACKR3

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 disclosed
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 MAPKAPK2 2482/4885SOS1 2122/4885BCHE 2363/4885

“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.