SCHEMBL1172676

SCHEMBL1172676

CS(=O)(=O)c1cc(N2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.54
▸ SLC6A5 Q9Y345 1/20 0.54
▸ MAPT P10636 7/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ AKR1C3 P42330 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ PKM P14618 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TSHR P16473 1/20 0.42

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
SCHEMBL12325546 0.87 MAPT (0.49) SLC6A9SLC6A5MAPTCYP2C9ALDH1A1
SCHEMBL1172592 0.84 SIRT6 (0.55) MAPTALDH1A1LMNA
SCHEMBL1172369 0.83 MAPT (0.54) MAPTCYP2C9AKR1C3ALDH1A1MEN1
SCHEMBL2712653 0.83 MAPT (0.54) MAPTCYP2C9AKR1C3ALDH1A1MEN1
SCHEMBL5130122 0.81 ALDH1A1 (0.41) SLC6A9SLC6A5MAPTALDH1A1LMNA
Formaldehyde SCHEMBL19406154 0.81 MAPT (0.51) MAPTCYP2C9AKR1C3ALDH1A1MEN1
SCHEMBL5131832 0.80 SLC6A9 (0.48) SLC6A9SLC6A5MAPTAKR1C3ALDH1A1
SCHEMBL30633588 0.80 AKR1C3 (0.47) SLC6A9SLC6A5MAPTAKR1C3ALDH1A1
SCHEMBL12325569 0.80 TSHR (0.52) SLC6A9SLC6A5MAPTCYP2C9AKR1C3
SCHEMBL4439983 0.79 MAPT (0.50) MAPTCYP2C9AKR1C3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018188785-A1 COMPOUND, COMPOUND FOR USE IN THE TREATMENT OF A PATHOLOGICAL CONDITION, A PHARMACEUTICAL COMPOSITION AND A METHOD FOR PREPARING SAID COMPOUND Technische Universität München (DE) 2018-10-18 — — WO disclosed
EP-3388430-A1 COMPOUND, COMPOUND FOR USE IN THE TREATMENT OF A PATHOLOGICAL CONDITION, A PHARMACEUTICAL COMPOSITION AND A METHOD FOR PREPARING SAID COMPOUND Technische Universität München (DE) 2018-10-17 — — EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 — — US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 — — US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 — — WO disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 — — US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 — — US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 — — US disclosed
CN-101668749-A Novel pyrimidine derivatives 698 ASTRAZENECA AB 2010-03-10 — — CN disclosed
EP-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 — — EP disclosed
CN-101374818-A Pyrimidine derivatives ASTRAZENECA AB (SE) 2009-02-25 — — CN disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 — — US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 — — US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 — — US disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 — — WO disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 — — WO disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 — — WO 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 SLC6A9 3762/4885SLC6A5 3564/4885MAPT 3593/4885
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 SLC6A9 2932/4885SLC6A5 3512/4885MAPT 3359/4885
US-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 SLC6A9 4245/4885SLC6A5 3743/4885MAPT 3778/4885

“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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