Sugi Predict

Sugi Predict / Compounds / SCHEMBL3597792

SCHEMBL3597792

SCHEMBL3597792

NC(CO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.60
▸ IDO1 P14902 2/20 0.49
▸ TDO2 P48775 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ ACP3 P15309 2/20 0.47
▸ CES2 O00748 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ OPRL1 P41146 2/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM3 P20309 1/20 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
SCHEMBL3597789 1.00 PNMT (0.60) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL18793794 1.00 PNMT (0.60) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL30361288 1.00 PNMT (0.60) PNMTIDO1TDO2HTR2AHTR2C
Hydrochloric Acid SCHEMBL23100747 0.98 PNMT (0.58) PNMTIDO1TDO2HTR2AHTR2C
Hydrochloric Acid SCHEMBL4780023 0.98 PNMT (0.58) PNMTIDO1TDO2HTR2AHTR2C
Hydrochloric Acid SCHEMBL30911959 0.98 PNMT (0.58) PNMTIDO1TDO2HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL3446712 0.91 PNMT (0.51) PNMTIDO1TDO2ACP3CES2
SCHEMBL18793765 0.86 PNMT (0.45) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL13358881 0.86 PNMT (0.57) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL381257 0.86 PNMT (0.57) PNMTIDO1TDO2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 — — EP claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 — — US claimed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 — — EP claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 — — US claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 — — WO claimed
US-20250002452-A1 BICYCLOPENTANE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2025-01-02 — — US disclosed
WO-2023158584-A1 NEW BICYCLOPENTANE DERIVATIVES ICAGEN, LLC (US) 2023-08-24 — — WO disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 — — US disclosed
CN-115702141-A Cyclobutyl-urea derivatives 爱杜西亚药品有限公司 2023-02-14 — — CN disclosed
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 — — CN disclosed
US-11466013-B2 ERK inhibitor and use thereof BETTA PHARMACEUTICALS CO., LTD (CN) 2022-10-11 — — US disclosed
EP-3805217-A1 ERK INHIBITOR AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2021-04-14 — — EP disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 — — WO disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 — — US disclosed
CN-101600689-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (VG) 2009-12-09 — — CN disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 — — US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 — — US disclosed
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 — — US disclosed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 — — EP disclosed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 — — 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 (7 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-20250002452-A1 BICYCLOPENTANE DERIVATIVES BICRA, C1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PNMT 4869/4885IDO1 2164/4885TDO2 2207/4885
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 PNMT 2415/4885IDO1 1535/4885TDO2 1430/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 PNMT 987/4885IDO1 1865/4885TDO2 2507/4885
US-11466013-B2 ERK inhibitor and use thereof MAPK1, MAPK4, MAPK7 PNMT 3335/4885IDO1 3964/4885TDO2 4700/4885
US-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 PNMT 4539/4885IDO1 4763/4885TDO2 4739/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 PNMT 987/4885IDO1 1865/4885TDO2 2507/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PNMT 1112/4885IDO1 1280/4885TDO2 3132/4885

“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.