SCHEMBL16805016

SCHEMBL16805016

CCOc1cc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.51
▸ GCK P35557 1/20 0.48
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TNF P01375 1/20 0.46
▸ STIM1 Q13586 1/20 0.46
▸ ORAI1 Q96D31 1/20 0.46
▸ TRPA1 O75762 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ DYRK3 O43781 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44

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
SCHEMBL18038387 0.81 STIM1 (0.55) IL2GCKSMN1; SMN2STIM1ORAI1
SCHEMBL30096509 0.81 STIM1 (0.55) IL2GCKSMN1; SMN2STIM1ORAI1
SCHEMBL25316999 0.81 STIM1 (0.61) IL2GCKMAPTSTIM1ORAI1
SCHEMBL2308121 0.79 IL2 (0.58) IL2GCKMEN1KMT2ACDK1
SCHEMBL16805017 0.78 KDR (0.53) IL2GCKSMN1; SMN2STIM1ORAI1
SCHEMBL8193723 0.76 TYK2 (0.62) IL2TNFSTIM1ORAI1MEN1
SCHEMBL12093752 0.74 IL2 (0.57) IL2MAPTTNFSTIM1ORAI1
SCHEMBL1828207 0.73 IL2 (0.63) IL2MAPTSMN1; SMN2TNFSTIM1
SCHEMBL12181665 0.73 MAOB (0.59) IL2SMN1; SMN2DYRK3MAP4K4LCK
SCHEMBL15528331 0.73 IL2 (0.74) IL2MAPTTNFSTIM1ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 IL2 1229/4885GCK 1291/4885MAPT 3201/4885

“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.

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