Sugi Predict

Sugi Predict / Compounds / SCHEMBL14910489

SCHEMBL14910489

SCHEMBL14910489

O=[N+]([O-])c1cnc(N2CCOCC2)c(C2CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 5/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAPT P10636 5/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ OPRK1 P41145 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SLC6A9 P48067 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
SCHEMBL4675601 0.81 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL2145143 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL3363772 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL3544112 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL30852387 0.76 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL14910449 0.76 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL14910348 0.76 KDM4E (0.43) ALDH1A1MAPTSMN1; SMN2
SCHEMBL24630259 0.76 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9MAPK1HTT
SCHEMBL16165387 0.75 MAPT (0.52) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL27978237 0.73 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 — — US disclosed
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-02-13 — — US disclosed
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-06 — — US disclosed
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-02-10 — — US disclosed
CN-113164476-A Small molecule inhibitor of DYRK1/CLK and application thereof 代表亚利桑那大学的亚利桑那校董会 2021-07-23 — — CN disclosed
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 — — US disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 — — EP disclosed
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 — — CN disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8772320-B2 — — 2014-07-08 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 — — CN 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK ALDH1A1 1638/4885CYP1A2 4413/4885CYP2C9 4459/4885
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 ALDH1A1 3885/4885CYP1A2 3069/4885CYP2C9 3609/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 ALDH1A1 2781/4885CYP1A2 3651/4885CYP2C9 4143/4885
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 ALDH1A1 2781/4885CYP1A2 3651/4885CYP2C9 4143/4885
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK2, CLK1, CLK3 ALDH1A1 2781/4885CYP1A2 3651/4885CYP2C9 4143/4885
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 ALDH1A1 2781/4885CYP1A2 3651/4885CYP2C9 4143/4885

“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.