Sugi Predict

Sugi Predict / Compounds / SCHEMBL263941

SCHEMBL263941

SCHEMBL263941

O=C(O)c1ccc2c(=O)[nH]cnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.58
▸ CHEK1 O14757 2/20 0.58
▸ PIM1 P11309 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ RPS6KA3 P51812 1/20 0.58
▸ SLC2A1 P11166 1/20 0.56
▸ PDPK1 O15530 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ TNKS2 Q9H2K2 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ KDM4A O75164 1/20 0.47
▸ KDM4B O94953 1/20 0.47
▸ KDM5C P41229 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ KDM5B Q9UGL1 1/20 0.47

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
SCHEMBL263154 0.87 SLC2A1 (0.74) PARP1CHEK1PIM1SLC2A1PDPK1
SCHEMBL13908150 0.85 SLC2A1 (0.77) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL2315757 0.85 PARP1 (0.57) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL30205640 0.85 PARP1 (0.57) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL2116618 0.83 HDAC6 (0.61) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL31067306 0.81 PARP1 (0.56) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL265032 0.81 PARP1 (0.56) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL2656961 0.80 NPC1 (0.59) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL17204225 0.80 KDM4E (0.39) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL17796244 0.78 PARP1 (0.52) PARP1CHEK1PIM1ALDH1A1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 — — EP claimed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 — — WO claimed
US-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-21 — — US disclosed
US-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-21 — — US disclosed
EP-3762379-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS Bayer Aktiengesellschaft (DE) 2021-01-13 — — EP disclosed
EP-3247705-B1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS MILLENNIUM PHARM INC (US) 2019-11-20 — — EP disclosed
WO-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 — — WO disclosed
WO-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 — — WO disclosed
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-06-18 — — US disclosed
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2018-01-11 — — US disclosed
CN-107438598-A QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF 米伦纽姆医药公司 2017-12-05 — — CN disclosed
EP-1492778-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS Warner-Lambert Company LLC (US) 2005-01-05 — — EP disclosed
US-6753340-B2 AUTOIMMUNE DISEASE, ANTIARTHRITIC AGENTS, ANTIALLERGENS, ANTICANCER AGENTS WARNER-LAMBERT COMPANY LLC 2004-06-22 — — US disclosed
US-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors WARNER-LAMBERT COMPANY LLC 2003-10-09 — — US disclosed
WO-2003082839-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 — — WO disclosed
EP-1348701-A1 (2,4-disubstituted-thiazol-5-yl) amine compounds as PDE7 inhibitors Warner-Lambert Company LLC (US) 2003-10-01 — — EP disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 — — US disclosed
EP-0566226-B1 Quinazoline derivatives ZENECA LTD (GB) 1995-11-08 — — EP disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 — — US disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 — — 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 (4 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-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR MAPK15, MAPKAPK5, MAP3K5 PARP1 2057/4885CHEK1 198/4885PIM1 768/4885
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof NAMPT, NQO2, NNMT PARP1 358/4885CHEK1 1721/4885PIM1 4129/4885
US-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors PDE7A, PDE9A, PDE3A PARP1 1504/4885CHEK1 2739/4885PIM1 3349/4885
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT PARP1 358/4885CHEK1 1721/4885PIM1 4129/4885

“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.