Sugi Predict

Sugi Predict / Compounds / SCHEMBL352072

SCHEMBL352072

SCHEMBL352072

Cn1nc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 5/20 0.71
▸ SORT1 Q99523 5/20 0.71
▸ KDM4E B2RXH2 1/20 0.71
▸ CDK8 P49336 2/20 0.53
▸ AURKA O14965 1/20 0.53
▸ CSF1R P07333 1/20 0.53
▸ RET P07949 1/20 0.53
▸ LTK P29376 1/20 0.53
▸ CSNK1A1 P48729 1/20 0.53
▸ CLK2 P49760 1/20 0.53
▸ CDK5 Q00535 1/20 0.53
▸ ACVR1 Q04771 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ MAPT P10636 3/20 0.49
▸ AAK1 Q2M2I8 1/20 0.46
▸ MAPK14 Q16539 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CTSL P07711 2/20 0.42

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
SCHEMBL17732 0.84 KDM4E (0.50) GRNSORT1KDM4ERAB9ACTSL
SCHEMBL1572486 0.83 GRN (1.00) GRNSORT1KDM4EMAPTAAK1
SCHEMBL8260077 0.83 GRN (0.73) GRNSORT1KDM4EMAPTAAK1
SCHEMBL350765 0.81 GRN (0.71) GRNSORT1KDM4EMAPTAAK1
SCHEMBL12868385 0.81 GRN (0.71) GRNSORT1KDM4EMAPTAAK1
Hydrochloric Acid SCHEMBL8760885 0.81 GRN (0.96) GRNSORT1KDM4EMAPTAAK1
SCHEMBL352703 0.81 GRN (0.61) GRNSORT1KDM4ECDK8AURKA
SCHEMBL350954 0.81 KDM4E (0.65) GRNSORT1KDM4EMAPTAAK1
SCHEMBL10146249 0.81 GRN (0.65) GRNSORT1KDM4EMAPTAAK1
Hydrochloric Acid SCHEMBL6312230 0.80 GRN (0.59) GRNSORT1KDM4ECDK8AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 — — US claimed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 — — EP claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 — — US claimed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — US claimed
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 — — EP claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 — — US claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 — — EP claimed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — WO claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 — — WO claimed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 — — US claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 — — WO claimed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 — — US claimed
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 — — US claimed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 — — WO claimed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 — — US claimed
WO-2023192665-A2 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 — — WO disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 — — US disclosed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 — — WO disclosed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 — — 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 (6 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 GRN 4069/4885SORT1 4400/4885KDM4E 3926/4885
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D GRN 1912/4885SORT1 3038/4885KDM4E 3080/4885
US-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG GRN 4678/4885SORT1 3142/4885KDM4E 1224/4885
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 GRN 4524/4885SORT1 4451/4885KDM4E 3448/4885
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 GRN 4459/4885SORT1 4749/4885KDM4E 2422/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GRN 1608/4885SORT1 3270/4885KDM4E 1645/4885

“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.