SCHEMBL6004471

SCHEMBL6004471

C#CCNC(=O)c1csc(C2CN(C(=O)OC(C)(C)C)C(Cc3ncc[nH]3)CN2c2ccc(F)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
SLC40A1 Q9NP59 6/20 0.31
NAMPT P43490 1/20 0.31
HTR2B P41595 1/20 0.31
RORC P51449 1/20 0.30
ACKR3 P25106 1/20 0.30

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
SCHEMBL4791028 0.86 NR1H2 (0.51) NR1H2NR1H3HTR2B
SCHEMBL6003983 0.78 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL6004468 0.73 ACKR3 (0.35) ACKR3
SCHEMBL6004463 0.72 ACKR3 (0.36) NAMPTACKR3
SCHEMBL6004214 0.69 TACR1 (0.33) NR1H2NR1H3ACKR3
SCHEMBL6004209 0.64 ACKR3 (0.40) ACKR3
SCHEMBL6004212 0.63 ACKR3 (0.38) ACKR3
SCHEMBL6004473 0.63 NR1H2 (0.36) NR1H2NR1H3ACKR3
SCHEMBL10077136 0.62 NAA50 (0.41) NR1H2NR1H3
SCHEMBL4828575 0.62 MAPK14 (0.48) ACKR3

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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 NR1H2 744/4885NR1H3 723/4885SLC40A1 3699/4885

“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.