Sugi Predict

Sugi Predict / Compounds / SCHEMBL2201082

SCHEMBL2201082

SCHEMBL2201082

CC(C)(C)OC(=O)/C=C/c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XPO1 O14980 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ RAB9A P51151 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL2201083 1.00 XPO1 (0.38) XPO1LMNAHTTNR1I2PGR
SCHEMBL2195182 0.81 NPC1 (0.33) XPO1LMNAHTTNR1I2PGR
SCHEMBL2195175 0.81 NPC1 (0.33) XPO1LMNAHTTNR1I2PGR
SCHEMBL30244791 0.81 HSP90AA1 (0.49) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL230882 0.81 HSP90AA1 (0.49) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL230883 0.81 HSP90AA1 (0.49) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL22092229 0.79 CA12 (0.47) LMNAHTTCYP2C9CYP2C19RAB9A
SCHEMBL22092230 0.79 CA12 (0.47) LMNAHTTCYP2C9CYP2C19RAB9A
SCHEMBL21039220 0.79 NPC1 (0.34) LMNAHTTRAB9ANPC1SMN1; SMN2
SCHEMBL21001892 0.79 NPC1 (0.40) LMNAHTTCYP3A4RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168648-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2024-12-17 — — US disclosed
US-20240092746-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. 2024-03-21 — — US disclosed
EP-4320105-A1 OPIOID RECEPTOR MODULATORS Epiodyne, Inc. (US) 2024-02-14 — — EP disclosed
CN-117425644-A Opioid receptor modulators 埃皮欧黛公司 2024-01-19 — — CN disclosed
EP-3601284-B1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-12-27 — — EP disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 — — US disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 — — US disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
US-20220356157-A1 OPIOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-10 — — US disclosed
WO-2022216750-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. (US) 2022-10-13 — — WO disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 — — US disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 — — US disclosed
EP-3601284-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 — — EP disclosed
CN-110678466-A Naphthyridines as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-10 — — CN disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 — — US disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 — — US disclosed
WO-2018183956-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 — — WO disclosed
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 — — US disclosed
US-7977372-B2 Ortho aminoamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2011-07-12 — — US disclosed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 — — 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 (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-20240092746-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 XPO1 2979/4885LMNA 4728/4885HTT 3380/4885
US-12168648-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 XPO1 2979/4885LMNA 4728/4885HTT 3380/4885
US-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 XPO1 227/4885LMNA 2129/4885HTT 2511/4885
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HDAC5, HDAC1, HDAC4 XPO1 1507/4885LMNA 2703/4885HTT 3165/4885
US-11634396-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 XPO1 2979/4885LMNA 4728/4885HTT 3380/4885
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 NEK1, NEK5, NEK11 XPO1 227/4885LMNA 2129/4885HTT 2511/4885
US-20220356157-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 XPO1 2979/4885LMNA 4728/4885HTT 3380/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 XPO1 227/4885LMNA 2129/4885HTT 2511/4885

“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.