SCHEMBL16805017

SCHEMBL16805017

COc1cc(OC)c(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.53
▸ IL2 P60568 5/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GCK P35557 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ ORAI1 Q96D31 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ SRC P12931 2/20 0.48
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47

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
SCHEMBL2308121 0.81 IL2 (0.58) KDRIL2RAB9AMEN1KMT2A
SCHEMBL16805016 0.78 IL2 (0.51) KDRIL2MEN1KMT2ASMN1; SMN2
SCHEMBL1828445 0.78 STIM1 (0.65) KDRIL2RAB9AMEN1KMT2A
SCHEMBL8296803 0.78 IL2 (0.56) KDRIL2RAB9AMEN1KMT2A
SCHEMBL4766505 0.78 IL2 (0.53) KDRIL2RAB9ALMNAGAA
SCHEMBL16363203 0.76 RAB9A (0.51) KDRIL2RAB9AMEN1KMT2A
SCHEMBL8263206 0.75 IL2 (0.53) IL2RAB9AALDH1A1LMNANPC1
SCHEMBL4769818 0.75 IL2 (0.58) KDRIL2RAB9AMEN1KMT2A
SCHEMBL16475197 0.73 PDGFRB (0.48) RAB9AKMT2ANPC1ORAI1FYN
SCHEMBL2890170 0.73 STIM1 (0.51) KDRIL2RAB9AMEN1KMT2A

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 KDR 4216/4885IL2 1229/4885RAB9A 3615/4885

“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.

Send feedback