SCHEMBL6004201

SCHEMBL6004201

Cc1ncc(-c2nc(C(=O)NC(C)C)c(-c3ccc(F)cc3)s2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
PDE2A O00408 1/20 0.38
HCRTR1 O43613 10/20 0.37
GABRA5 P31644 3/20 0.37
DYRK1A Q13627 1/20 0.37
HCRTR2 O43614 2/20 0.36
CNR1 P21554 1/20 0.36
ULK1 O75385 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL4877473 0.89 HDAC3 (0.40) HDAC3HDAC1HDAC6HCRTR1GABRA5
SCHEMBL6002744 0.82 TRPM8 (0.47) HCRTR1HCRTR2
SCHEMBL6002812 0.81 ULK1 (0.38) HCRTR1HCRTR2ULK1
SCHEMBL4762643 0.80 TSHR (0.40) HCRTR1HCRTR2ULK1
SCHEMBL6004445 0.74 TRPM8 (0.48)
SCHEMBL4761319 0.74 DYRK1A (0.38) HDAC3HDAC1HDAC6PDE2AGABRA5
SCHEMBL6002776 0.71 TRPM8 (0.44) HCRTR1HCRTR2
SCHEMBL4762447 0.71 ULK1 (0.35) HDAC3HDAC1HDAC6PDE2AGABRA5
SCHEMBL4868017 0.71 ACVR1 (0.42) HDAC3HDAC1HDAC6HCRTR1GABRA5
SCHEMBL6004400 0.68 ULK1 (0.39) HDAC3HDAC1HDAC6HCRTR1HCRTR2

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 HDAC3 1401/4885HDAC1 646/4885HDAC6 1192/4885

“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.