SCHEMBL315636

SCHEMBL315636

Cc1nc(-c2cc[c]cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PLK1 P53350 1/20 0.51
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.41
AOC3 Q16853 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL13415301 0.85 L3MBTL1 (0.69) L3MBTL1CA12CA1CA2CA9
SCHEMBL2967349 0.79 L3MBTL1 (0.62) L3MBTL1CA12CA1CA2CA9
SCHEMBL255502 0.79 L3MBTL1 (0.74) L3MBTL1CA12CA1CA2CA9
SCHEMBL174178 0.78 L3MBTL1 (0.61) L3MBTL1CA12CA1CA2CA9
SCHEMBL21054746 0.78 L3MBTL1 (0.56) L3MBTL1CA12CA1CA2CA9
SCHEMBL2655691 0.78 NPC1 (0.62) L3MBTL1CA12CA1CA2CA9
SCHEMBL753304 0.76 L3MBTL1 (0.58) L3MBTL1CA12CA1CA2CA9
SCHEMBL1353609 0.76 CA12 (0.62) L3MBTL1CA12CA1CA2CA9
SCHEMBL13621955 0.76 L3MBTL1 (0.58) L3MBTL1CA12CA1CA2CA9
SCHEMBL1170085 0.76 NR1H4 (0.59) L3MBTL1CA12CA1CA2CA9

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230064443-A1 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-03-02 US claimed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
CN-112654610-A Pyrazole and imidazole compounds for inhibiting IL-17 and ROR gamma 里亚塔医药公司 2021-04-13 CN claimed
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN claimed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US claimed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US claimed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US claimed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP claimed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US claimed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 WO claimed
US-6967197-B2 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-22 US claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 US claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
EP-0674635-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP claimed
WO-1994014803-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO claimed
US-11993574-B2 Pyrazole and imidazole compounds for inhibition of IL-17 and RORgamma REATA PHARMACEUTICALS, INC (US) 2024-05-28 US disclosed
WO-1994014803-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO 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 (8 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G L3MBTL1 3854/4885CA12 4321/4885CA1 1079/4885
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 L3MBTL1 2468/4885CA12 1276/4885CA1 612/4885
US-20230064443-A1 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide Derivatives Useful As a Factor XIa Inhibitors F11, F12, F13A1 L3MBTL1 4611/4885CA12 1799/4885CA1 1769/4885
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors MMP9, MMP1, MMP3 L3MBTL1 3056/4885CA12 804/4885CA1 311/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA L3MBTL1 4655/4885CA12 2875/4885CA1 1833/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G L3MBTL1 3854/4885CA12 4321/4885CA1 1079/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G L3MBTL1 3854/4885CA12 4321/4885CA1 1079/4885
US-11993574-B2 Pyrazole and imidazole compounds for inhibition of IL-17 and RORgamma RORC, RORB, RORA L3MBTL1 4655/4885CA12 2875/4885CA1 1833/4885

“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.