SCHEMBL16808951

SCHEMBL16808951

COC(=O)c1cc(-c2cnc(OC(F)(F)F)cc2C)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ ABL1 P00519 1/20 0.35
▸ PLA2G10 O15496 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NNMT P40261 1/20 0.33
▸ POLQ O75417 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31

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
SCHEMBL16804964 0.87 NNMT (0.46) MMP2MMP13MMP14ABL1PLA2G10
SCHEMBL16804999 0.84 MMP2 (0.45) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL16804965 0.83 MMP2 (0.38) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL16783010 0.81 STIM1 (0.38) ABL1SMN1; SMN2POLQNPC1KDM4E
SCHEMBL16804962 0.81 MMP2 (0.41) MMP2MMP13MMP14ABL1PLA2G10
SCHEMBL16782956 0.81 NPY5R (0.44) SMN1; SMN2NPC1KDM4EALDH1A1MEN1
SCHEMBL16783060 0.80 MMP2 (0.40) MMP2MMP13MMP14ABL1PLA2G10
SCHEMBL16804971 0.79 MMP2 (0.38) MMP2MMP13MMP14PLA2G10KDM4E
SCHEMBL16804951 0.78 PKM (0.41) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL16804995 0.78 MAPT (0.40) MMP2MMP13MMP14SMN1; SMN2NPC1

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 2 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

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 MMP2 4592/4885MMP13 3006/4885MMP14 3415/4885

“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