SCHEMBL6004024

SCHEMBL6004024

CC(C)NC(=O)c1ccn(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3c3ccc(F)cc3)on2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.37
USP30 Q70CQ3 2/20 0.37
GPR119 Q8TDV5 2/20 0.36
RORC P51449 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
JAK2 O60674 3/20 0.36
JAK3 P52333 2/20 0.36
PTK2 Q05397 2/20 0.36
JAK1 P23458 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TRPV3 Q8NET8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
DGAT2 Q96PD7 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL4832476 0.84 USP30 (0.40) TACR1USP30GPR119RORCHDAC1
SCHEMBL4762503 0.82 USP30 (0.40) TACR1USP30GPR119RORCHDAC1
SCHEMBL4827693 0.78 RORC (0.42) TACR1USP30GPR119RORCHDAC1
SCHEMBL4721539 0.73 JAK2 (0.42) GPR119JAK2JAK3PTK2HDAC4
SCHEMBL6005113 0.73 TACR3 (0.39) TACR1USP30GPR119RORCHDAC1
SCHEMBL6004607 0.72 ENPP2 (0.38) TACR1USP30JAK2JAK1HDAC4
SCHEMBL6002680 0.70 USP30 (0.40) USP30JAK2JAK3PTK2JAK1
SCHEMBL18255827 0.69 MEN1 (0.49) TACR1GPR119RORCHDAC1HDAC2
SCHEMBL6004025 0.68 GRM5 (0.34) USP30JAK2JAK3PTK2HDAC4
SCHEMBL6004030 0.68 TACR1 (0.34) TACR1GPR119JAK2JAK3PTK2

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 TACR1 3601/4885USP30 1591/4885GPR119 1185/4885

“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.