SCHEMBL11943309

SCHEMBL11943309

O=c1c(NCc2cccnc2)c(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 4/20 0.51
▸ GAA P10253 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ DCTPP1 Q9H773 1/20 0.43

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
SCHEMBL11943292 0.86 MAPT (0.50) NAMPTALDH1A1MAPTGAAPKM
SCHEMBL11943190 0.85 ALDH1A1 (0.48) NAMPTALDH1A1MAPTGAAPKM
SCHEMBL11943226 0.75 DCTPP1 (0.44) NAMPTALDH1A1MAPTGAALMNA
SCHEMBL11943311 0.75 POLB (0.47) ALDH1A1MAPTGAAPKMLMNA
SCHEMBL11946601 0.75 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL11943222 0.74 DCTPP1 (0.51) ALDH1A1MAPTPKMLMNAMEN1
SCHEMBL11943317 0.73 ALDH1A1 (0.52) ALDH1A1MAPTGAALMNAMEN1
SCHEMBL11943132 0.73 MAPT (0.46) ALDH1A1MAPTGAALMNAMEN1
SCHEMBL11946583 0.73 ALDH1A1 (0.61) ALDH1A1MAPTPKMLMNAMAPK1
SCHEMBL13329325 0.73 ALDH1A1 (0.51) ALDH1A1MAPTPKMLMNAMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA NAMPT 120/4885ALDH1A1 2437/4885MAPT 2295/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 NAMPT 254/4885ALDH1A1 2003/4885MAPT 3651/4885

“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.

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