Sugi Predict

Sugi Predict / Compounds / SCHEMBL1999954

SCHEMBL1999954

SCHEMBL1999954

N=C(N)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ IDO1 P14902 1/20 0.61
▸ MAPT P10636 7/20 0.60
▸ GAA P10253 4/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ HTT P42858 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ KIF11 P52732 1/20 0.56
▸ TP53 P04637 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
Bicarbonate SCHEMBL7469511 0.94 MAPT (0.65) ALDH1A1IDO1MAPTGAANPSR1
Nitric Acid SCHEMBL4479271 0.89 ALDH1A1 (0.55) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL4100624 0.87 ALDH1A1 (0.55) ALDH1A1IDO1MAPTGAANPSR1
Hydrochloric Acid SCHEMBL9666367 0.85 ALDH1A1 (0.54) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL2288364 0.85 MAPT (0.64) ALDH1A1IDO1MAPTGAANPSR1
Nitric Acid SCHEMBL5732960 0.84 ALDH1A1 (0.49) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL10514953 0.83 ALDH1A1 (0.53) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL27110819 0.83 MAPT (0.57) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL3826992 0.82 MAPT (0.60) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL167618 0.82 KIF11 (0.79) ALDH1A1IDO1MAPTGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 — — WO claimed
CN-114335721-B Nonaqueous electrolyte, preparation method thereof and lithium ion battery 厦门海辰储能科技股份有限公司 2024-01-26 — — CN disclosed
CN-114335721-A Non-aqueous electrolyte, preparation method thereof and lithium ion battery 厦门海辰新能源科技有限公司 2022-04-12 — — CN disclosed
EP-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 — — EP disclosed
EP-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 — — EP disclosed
EP-2668188-B1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-05-18 — — EP disclosed
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 — — US disclosed
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 — — US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 — — US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 — — US disclosed
EP-0961618-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-07-17 — — EP disclosed
US-6369068-B1 Amino substituted pyrimidine containing compounds SMITHKLINE BEECHAM CORPORATION 2002-04-09 — — US disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 — — WO disclosed
EP-0961618-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-08 — — EP disclosed
US-5869660-A Process of preparing imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-02-09 — — US disclosed
WO-1998025619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-06-18 — — WO disclosed
US-5739143-A Imidazole compounds and compositions SMITHKLINE BEECHAM CORPORATION (US) 1998-04-14 — — US disclosed
EP-0144730-B1 2-ANILINO-1,6-DIHYDRO-6-OXO-5-PYRIMIDINECARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND ANTIALLERGIC AGENT CONTAINING THE SAME MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1987-07-08 — — EP disclosed
EP-0144730-A1 2-Anilino-1,6-dihydro-6-oxo-5-pyrimidinecarboxylic acid derivatives, processes for the preparation thereof, and antiallergic agent containing the same MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1985-06-19 — — EP disclosed
US-3976643-A FROM AN ANILINE AND CYANAMIDE WILLIAM H. RORER, INC. (US) 1976-08-24 — — 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 (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-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 ALDH1A1 3693/4885IDO1 3958/4885MAPT 4114/4885

“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.