SCHEMBL5026993

SCHEMBL5026993

Cn1nc(CO)cc1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
NOTUM Q6P988 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
MALT1 Q9UDY8 6/20 0.44
SLC16A3 O15427 3/20 0.41
SLC16A1 P53985 2/20 0.41
MCTS1 Q9ULC4 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
TACR3 P29371 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL17448054 0.83 NR1H4 (0.42) PTGS2NOTUMNR1H4MALT1SLC16A3
SCHEMBL22769348 0.83 NR1H4 (0.45) PTGS2NR1H4CA1CA2CA9
SCHEMBL21807369 0.83 CSNK1D (0.46) PTGS2NR1H4CA1CA2CA9
SCHEMBL1779503 0.83 PTGS2 (0.52) PTGS2NOTUMNR1H4SLC16A3CNR2
SCHEMBL20805341 0.82 NR1H4 (0.44) PTGS2NR1H4CYP1A2CA1CA2
SCHEMBL19272866 0.82 MARS1 (0.53) PTGS2NOTUMMALT1SLC16A3SLC16A1
SCHEMBL10356476 0.77 MAPK1 (0.42) PTGS2NOTUMMALT1CYP1A2CYP3A4
SCHEMBL22722186 0.77 NR1H4 (0.40) PTGS2NR1H4CYP3A4CNR2CA1
SCHEMBL2424899 0.76 NR1H4 (0.42) PTGS2NR1H4CA1CA2CA9
SCHEMBL3491201 0.75 KDM4E (0.50) PTGS2NOTUMUSP2TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
WO-2017140758-A1 DERIVATIVES OF 2-AMINO-4-(2-OXAZOLIDINON-3-YL)-PYRIMIDINE FUSED WITH A FIVE-MEMBERED HETEROAROMATIC RING IN 5,6-POSITION WHICH ARE USEFUL FOR THE TREATMENT OF VARIOUS CANCERS DEBIOPHARM INTERNATIONAL S.A. (CH) 2017-08-24 WO disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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 (3 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 PTGS2 436/4885NOTUM 1/4885NR1H4 257/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT PTGS2 632/4885NOTUM 5/4885NR1H4 68/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG PTGS2 1571/4885NOTUM 1118/4885NR1H4 17/4885

“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.