SCHEMBL5524898

SCHEMBL5524898

COc1ccc(-n2nc(C(=O)NC(C)(C)C)cc2-c2cccc(N(C)C)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.40
SLC16A1 P53985 2/20 0.40
RPA1 P27694 1/20 0.39
FYN P06241 1/20 0.39
MALT1 Q9UDY8 5/20 0.38
OXTR P30559 1/20 0.37
PTGS2 P35354 2/20 0.36
HCRTR2 O43614 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
MCTS1 Q9ULC4 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
DYRK3 O43781 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 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
SCHEMBL5522378 0.90 MALT1 (0.44) RPA1MALT1PTGS2NFKB1NFKB2
SCHEMBL5522344 0.87 RPA1 (0.54) RPA1OXTR
SCHEMBL5522388 0.83 CA9 (0.49) RPA1PTGS2FAAH
SCHEMBL5517499 0.81 MALT1 (0.40) RPA1MALT1NFKB1NFKB2RELA
SCHEMBL5524243 0.81 NTRK1 (0.42) SLC16A3SLC16A1RPA1MALT1PTGS2
SCHEMBL5530168 0.79 CNR1 (0.38) RPA1MALT1NFKB1NFKB2RELA
SCHEMBL5529777 0.79 CNR1 (0.38) RPA1FYNMALT1NFKB1NFKB2
SCHEMBL5520073 0.79 CNR1 (0.37) RPA1MALT1HCRTR2NFKB1NFKB2
SCHEMBL5531845 0.79 IMPDH2 (0.38) RPA1MALT1NFKB1NFKB2RELA
SCHEMBL5529584 0.79 CNR1 (0.49) SLC16A3SLC16A1RPA1FYNMALT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 SLC16A3 4708/4885SLC16A1 4414/4885RPA1 1661/4885

“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.