Sugi Predict

Sugi Predict / Compounds / SCHEMBL259453

SCHEMBL259453

SCHEMBL259453

Cc1cc(C)n2ncnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ ENPP1 P22413 1/20 0.62
▸ KDM4E B2RXH2 5/20 0.57
▸ MAPK1 P28482 4/20 0.57
▸ LMNA P02545 2/20 0.57
▸ PKM P14618 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ GAA P10253 3/20 0.54
▸ POLB P06746 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL864946 0.80 ALDH1A1 (0.67) ALDH1A1ENPP1KDM4EMAPK1LMNA
SCHEMBL9038846 0.80 ALDH1A1 (0.67) ALDH1A1ENPP1KDM4EMAPK1LMNA
SCHEMBL5151528 0.80 ALDH1A1 (0.67) ALDH1A1ENPP1KDM4EMAPK1LMNA
SCHEMBL5146977 0.80 ALDH1A1 (0.67) ALDH1A1ENPP1KDM4EMAPK1LMNA
SCHEMBL9717697 0.80 ALDH1A1 (0.67) ALDH1A1ENPP1KDM4EMAPK1LMNA
SCHEMBL609785 0.80 ALDH1A1 (0.67) ALDH1A1ENPP1KDM4EMAPK1LMNA
SCHEMBL272835 0.80 ALDH1A1 (0.67) ALDH1A1ENPP1KDM4EMAPK1LMNA
SCHEMBL5164814 0.79 ALDH1A1 (0.65) ALDH1A1ENPP1KDM4EMAPK1LMNA
SCHEMBL8421909 0.79 ALDH1A1 (0.65) ALDH1A1ENPP1KDM4EMAPK1LMNA
SCHEMBL13064173 0.77 ALDH1A1 (0.62) ALDH1A1ENPP1KDM4EMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865711-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2014-10-21 — — US claimed
EP-2318394-B1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-01-22 — — EP claimed
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-05-31 — — US claimed
JP-2011524381-A — — 2011-09-01 — — JP claimed
WO-2011072695-A1 PHENYLIMIDAZOLE DERIVATIVES COMPRISING AN ETHYNYLENE LINKER AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 — — WO claimed
EP-2318394-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2011-05-11 — — EP claimed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 — — US claimed
WO-2009152825-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2009-12-23 — — WO claimed
EP-4598930-A1 RIFAMYCINS FOR NONTUBERCULOUS MYCOBACTERIA Regents of the University of Minnesota (US) 2025-08-13 — — EP disclosed
WO-2024076693-A1 RIFAMYCINS FOR NONTUBERCULOUS MYCOBACTERIA REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-04-11 — — WO disclosed
US-20230201205-A1 TREATING EXTRAPYRAMIDAL SYNDROME USING TRAPIDIL SINOPIA BIOSCIENCES, INC. 2023-06-29 — — US disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
CN-108430221-B Herbicidal composition 美国陶氏益农公司 2022-04-19 — — CN disclosed
US-10174428-B2 Etchant, replenishment solution and method for forming copper wiring MEC COMPANY LTD. (JP) 2019-01-08 — — US disclosed
EP-1016902-B1 Color photographic element EASTMAN KODAK CO (US) 2007-06-06 — — EP disclosed
US-20060293345-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2006-12-28 — — US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 — — WO disclosed
US-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 — — US disclosed
CN-87102283-A Manufacturing 5-methyl-7-diethylin-s-triazolo-(1, the 5-a) method and apparatus of pyrimidine — 1988-10-12 — — CN disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 — — EP 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 (5 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-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B ALDH1A1 65/4885ENPP1 317/4885KDM4E 356/4885
US-20060293345-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, MMP10 ALDH1A1 1873/4885ENPP1 404/4885KDM4E 1834/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT ALDH1A1 123/4885ENPP1 453/4885KDM4E 1143/4885
US-20230201205-A1 TREATING EXTRAPYRAMIDAL SYNDROME USING TRAPIDIL SLC6A3, PARK7, TAC3 ALDH1A1 1683/4885ENPP1 154/4885KDM4E 4660/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B ALDH1A1 65/4885ENPP1 317/4885KDM4E 356/4885

“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.