SCHEMBL2114946

SCHEMBL2114946

CC(=O)N1CC[C@@H](CNc2nc3c(Cl)cccc3cc2[C@H](C)N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.37
CYP11B2 P19099 1/20 0.34
GRIN2B Q13224 1/20 0.33
BTK Q06187 1/20 0.33
SCN9A Q15858 1/20 0.33
OPRL1 P41146 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
JAK3 P52333 3/20 0.33
JAK2 O60674 1/20 0.33
HTR3A P46098 1/20 0.32
HTR4 Q13639 1/20 0.32
HTR1A P08908 1/20 0.32

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 SCHEMBL864990 0.84 CCNT1 (0.41) CCNT1CYP11B2BTKSCN9AOPRL1
Hydrochloric Acid SCHEMBL864992 0.84 CCNT1 (0.41) CCNT1CYP11B2BTKSCN9AOPRL1
Hydrochloric Acid SCHEMBL864991 0.84 CCNT1 (0.41) CCNT1CYP11B2BTKSCN9AOPRL1
SCHEMBL2114949 0.82 CCNT1 (0.37) CCNT1CYP11B2BTKSCN9AOPRL1
SCHEMBL2115271 0.80 POLB (0.39) PDCD1CD274
SCHEMBL2114950 0.79 CCNT1 (0.38) CCNT1CYP11B2BTKSCN9AOPRL1
SCHEMBL15899855 0.77 CNR2 (0.39)
SCHEMBL15899849 0.77 CNR2 (0.39)
SCHEMBL863822 0.76 PIK3CD (0.42) CCNT1BTK
SCHEMBL863821 0.76 PIK3CD (0.42) CCNT1BTK

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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA CCNT1 2033/4885CYP11B2 1248/4885GRIN2B 652/4885

“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.