Sugi Predict

Sugi Predict / Compounds / SCHEMBL2456440

SCHEMBL2456440

SCHEMBL2456440

O=C(/C=N\O)Nc1cccc(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.66
▸ CYP1A2 P05177 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ MAOB P27338 6/20 0.57
▸ MAOA P21397 4/20 0.57
▸ TP53 P04637 1/20 0.55
▸ GAA P10253 1/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ACHE P22303 2/20 0.49
▸ EGFR P00533 1/20 0.49
▸ P2RX1 P51575 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 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
SCHEMBL4094672 1.00 TGM2 (0.66) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL2456443 1.00 TGM2 (0.66) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL9835434 0.80 CYP1A2 (0.64) CYP1A2NPSR1MAOBMAOATP53
SCHEMBL7368786 0.80 CYP1A2 (0.64) CYP1A2NPSR1TP53MEN1KMT2A
SCHEMBL28346163 0.80 CYP1A2 (0.64) CYP1A2NPSR1MAOBMAOATP53
SCHEMBL14135715 0.80 MEN1 (0.65) CYP1A2NPSR1MAOBTP53MEN1
SCHEMBL5952677 0.80 MEN1 (0.65) CYP1A2NPSR1MAOBTP53MEN1
SCHEMBL4997889 0.80 CYP1A2 (0.64) CYP1A2NPSR1MAOBMAOATP53
SCHEMBL8572562 0.80 CYP1A2 (0.64) CYP1A2NPSR1TP53MEN1KMT2A
SCHEMBL4997896 0.80 CYP1A2 (0.64) CYP1A2NPSR1MAOBMAOATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016952-A1 SUBSTITUTED AMINO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2016-01-21 — — US disclosed
US-20160016952-A1 SUBSTITUTED AMINO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2016-01-21 — — US disclosed
US-9145411-B2 Substituted amino-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-09-29 — — US disclosed
US-9145411-B2 Substituted amino-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-09-29 — — US disclosed
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 — — US disclosed
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 — — US disclosed
US-9073900-B2 Dihydroquinone derivatives of piperidine and piperazine KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-07-07 — — US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 — — US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 — — US disclosed
US-8916704-B1 Dihydroquinone derivatives of piperidine and piperazine KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2014-12-23 — — US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 — — US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 — — US disclosed
WO-2012058671-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2012-05-03 — — WO disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — WO disclosed
US-5739133-A N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1998-04-14 — — US disclosed
US-5733910-A Pyridazinedione compounds useful in the treating neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-03-31 — — US disclosed
US-5604227-A EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-18 — — US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 — — US disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 — — EP disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 — — 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 (3 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-20160016952-A1 SUBSTITUTED AMINO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, AKT3 TGM2 4262/4885CYP1A2 1802/4885NPSR1 3540/4885
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 TGM2 4464/4885CYP1A2 1891/4885NPSR1 4195/4885
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 TGM2 4464/4885CYP1A2 1891/4885NPSR1 4195/4885

“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.