SCHEMBL5520073

SCHEMBL5520073

COc1ccc(-n2nc(C(=O)NC(C)(C)C)cc2-c2ccncn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
MALT1 Q9UDY8 2/20 0.36
SMO Q99835 1/20 0.35
GABRA5 P31644 1/20 0.35
AR P10275 1/20 0.34
DHODH Q02127 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HCRTR2 O43614 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
CFTR P13569 1/20 0.33
PDK2 Q15119 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
NAMPT P43490 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL5526491 0.87 CNR1 (0.39) CNR1CNR2MALT1SMOAR
SCHEMBL5524243 0.87 NTRK1 (0.42) CNR1CNR2MALT1IRAK4ABCG2
SCHEMBL5268841 0.87 SMN1; SMN2 (0.39) MALT1SMOGABRA5IRAK4ABCG2
SCHEMBL5272477 0.86 RPA1 (0.46) RPA1
SCHEMBL5529777 0.85 CNR1 (0.38) CNR1CNR2MALT1SMOAR
SCHEMBL5524391 0.85 CNR1 (0.38) CNR1CNR2MALT1SMOAR
SCHEMBL5523550 0.85 AR (0.40) CNR1CNR2MALT1SMOAR
SCHEMBL5522738 0.85 CNR1 (0.41) CNR1CNR2MALT1SMOAR
SCHEMBL5521253 0.84 AR (0.38) CNR1CNR2MALT1SMOGABRA5
SCHEMBL5533931 0.84 CNR1 (0.38) CNR1CNR2MALT1SMOAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284298-B2 Pyrazolyl-pyrimidine derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-15 US claimed
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-20 US claimed
US-9284298-B2 Pyrazolyl-pyrimidine derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-15 US disclosed
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-20 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
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 (2 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 CNR1 76/4885CNR2 43/4885MALT1 3117/4885
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K6 CNR1 3039/4885CNR2 2999/4885MALT1 4251/4885

“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.