Sugi Predict

Sugi Predict / Compounds / SCHEMBL545872

SCHEMBL545872

SCHEMBL545872

O=[N+]([O-])c1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KCNJ1 P48048 1/20 0.44
▸ FGFR1 P11362 4/20 0.43
▸ FGFR2 P21802 4/20 0.43
▸ FGFR3 P22607 4/20 0.43
▸ KDR P35968 3/20 0.43
▸ PDPK1 O15530 1/20 0.43
▸ AURKA O14965 7/20 0.42
▸ AURKB Q96GD4 7/20 0.42
▸ CDK1 P06493 6/20 0.42
▸ CCNB1 P14635 6/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CDK2 P24941 5/20 0.41

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
SCHEMBL30061324 1.00 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTKCNJ1
SCHEMBL10240067 0.90 L3MBTL1 (0.44) MAPTFGFR1HDAC6CHEK1CDK7
SCHEMBL28507596 0.88 FGFR1 (0.51) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL30059177 0.88 FGFR1 (0.51) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL546253 0.84 FGFR1 (0.45) ALDH1A1MAPTFGFR1FGFR2FGFR3
SCHEMBL11888560 0.83 FGFR1 (0.43) FGFR1FGFR2FGFR3KDRPDPK1
SCHEMBL11037651 0.82 PARP1 (0.52) FGFR1FGFR2FGFR3KDRPDPK1
SCHEMBL12027286 0.81 FGFR1 (0.45) FGFR1FGFR2FGFR3KDRPDPK1
SCHEMBL12521833 0.81 PDPK1 (0.43) FGFR1FGFR2FGFR3KDRPDPK1
SCHEMBL27985423 0.80 MAPT (0.44) SMN1; SMN2ALDH1A1LMNAMAPTKCNJ1

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
US-4620035-A MOLYBDENUM, TUNGSTEN, VANADIUM, AND IRON OR COPPER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 — — US claimed
EP-4293019-A1 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS Netherlands Translational Research Center Holding B.V. (NL) 2023-12-20 — — EP disclosed
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 — — CN disclosed
CN-112047932-A Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 — — CN disclosed
US-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 — — US disclosed
US-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 — — US disclosed
US-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 — — US disclosed
EP-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 — — EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 — — US disclosed
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 — — EP disclosed
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 — — WO disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 — — US disclosed
WO-2007064862-A2 CATALYST COMPOSITION WITHOUT ANTIMONY OR MOLYBDENUM FOR AMMOXIDATION OF ALKANES, A PROCESS OF MAKING AND A PROCESS OF USING THEREOF SAUDI BASIC INDUSTRIES CORPORATION (SA) 2007-06-07 — — WO disclosed
CN-1845734-A Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2006-10-11 — — CN disclosed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 — — WO disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 — — EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 — — WO disclosed
US-4620035-A MOLYBDENUM, TUNGSTEN, VANADIUM, AND IRON OR COPPER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 — — US disclosed
US-4620035-A MOLYBDENUM, TUNGSTEN, VANADIUM, AND IRON OR COPPER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 — — US disclosed
US-3845120-A PRODUCTION OF ACRYLIC ACID BY OXIDATION OF ACROLEIN BASF AG 1974-10-29 — — 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 (2 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-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 SMN1; SMN2 3663/4885ALDH1A1 2449/4885LMNA 743/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 SMN1; SMN2 4105/4885ALDH1A1 1157/4885LMNA 691/4885

“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.