Sugi Predict

Sugi Predict / Compounds / SCHEMBL4461300

SCHEMBL4461300

SCHEMBL4461300

N#CC(C(=O)c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ ALPG P10696 2/20 0.47
▸ HPGD P15428 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ PTGS2 P35354 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TAAR1 Q96RJ0 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
SCHEMBL6176444 0.94 LTA4H (0.50) L3MBTL1LTA4HESR2HSD17B10SMN1; SMN2
SCHEMBL15022277 0.84 LMNA (0.50) L3MBTL1ESR2HSD17B10SMN1; SMN2LMNA
SCHEMBL7199609 0.84 LMNA (0.60) L3MBTL1SMN1; SMN2LMNAALDH1A1ALPG
SCHEMBL838079 0.84 L3MBTL1 (0.52) L3MBTL1ESR2HSD17B10LMNAALDH1A1
SCHEMBL14519387 0.81 L3MBTL1 (0.49) L3MBTL1ESR2HSD17B10SMN1; SMN2LMNA
SCHEMBL6545507 0.81 HSD17B10 (0.50) L3MBTL1ESR2HSD17B10LMNAALDH1A1
SCHEMBL6640450 0.80 LMNA (0.41) L3MBTL1LTA4HESR2HSD17B10SMN1; SMN2
SCHEMBL27380660 0.80 POLB (0.48) SMN1; SMN2LMNAALDH1A1ALPGHPGD
SCHEMBL8836116 0.80 POLB (0.48) SMN1; SMN2LMNAALDH1A1ALPGHPGD
SCHEMBL5256232 0.78 L3MBTL1 (0.47) L3MBTL1ESR2HSD17B10SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416123-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2016-08-16 — — US disclosed
US-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2014-11-13 — — US disclosed
US-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 — — US disclosed
US-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 — — US disclosed
US-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 — — US disclosed
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 — — US disclosed
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 — — US disclosed
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 — — US disclosed
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 — — US disclosed
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 — — US disclosed
US-5670503-A PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR MEDIATED DISEASES SUCH AS INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 — — US disclosed
US-5624931-A Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 — — US disclosed
CN-1120840-A Pyrazolitriazines with interleukin-1 and tumour necrosis factor inhibitory activity FUJISAWA PHARAMCEUTICAL CO LTD (JP) 1996-04-17 — — CN disclosed
US-5478827-A Inhibits Interleukin-1 and tumor necrosis factor production FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 — — US disclosed
EP-0686156-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-13 — — EP disclosed
US-5356897-A Inhibit the production of Interleukin-1 and tumor necrosis factor; administering for treatment of chronic inflammatory diseases, autoimmune diseases and sepsis-induced organ injury FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 — — US disclosed
WO-1994019350-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 — — WO disclosed
CN-1075965-A New Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1993-09-08 — — CN disclosed
CN-1070404-A New Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1993-03-31 — — CN disclosed
EP-0531901-A2 Condensed pyrazole derivatives with interleukin-1 and tumour necrosis factor inhibitory activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 — — 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 (1 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-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER DCK, MAP3K2, MAP3K19 L3MBTL1 1931/4885LTA4H 3592/4885ESR2 2289/4885

“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.