SCHEMBL16762263

SCHEMBL16762263

N=C1NC(=O)/C(=C\c2ccc3occc3c2)S1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MRE11 P49959 1/20 0.55
▸ CLK1 P49759 1/20 0.54
▸ CLK2 P49760 1/20 0.54
▸ CLK3 P49761 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ DYRK1B Q9Y463 1/20 0.54
▸ POLB P06746 2/20 0.51
▸ XDH P47989 3/20 0.50
▸ CYP2A6 P11509 1/20 0.48
▸ RAB9A P51151 2/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PIP4K2B P78356 2/20 0.44
▸ GSK3B P49841 2/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ IGF1R P08069 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
SCHEMBL16762261 1.00 MEN1 (0.55) MEN1KMT2AMRE11CLK1CLK2
SCHEMBL27985070 0.91 CLK1 (0.46) MEN1KMT2AMRE11CLK1CLK2
SCHEMBL2880693 0.88 RAB9A (0.57) CYP2A6RAB9APIM1PIK3CAPIK3CG
SCHEMBL6794569 0.88 RAB9A (0.57) CYP2A6RAB9APIM1PIK3CAPIK3CG
SCHEMBL2880695 0.88 RAB9A (0.57) CYP2A6RAB9APIM1PIK3CAPIK3CG
SCHEMBL16762274 0.84 PIM1 (0.64) MEN1KMT2ACLK1CLK3DYRK1A
SCHEMBL16762276 0.84 PIM1 (0.64) MEN1KMT2ACLK1CLK3DYRK1A
SCHEMBL16762271 0.84 PIM1 (0.64) MEN1KMT2ACLK1CLK3DYRK1A
SCHEMBL16998369 0.79 CYP2A6 (0.48) MEN1KMT2ACLK1CLK2CLK3
SCHEMBL16762221 0.74 XDH (0.53) MEN1KMT2AMRE11CLK1CLK2

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
EP-2881397-B1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR UNIV KYOTO (JP) 2020-09-02 — — EP disclosed
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2018-07-10 — — US disclosed
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2017-12-14 — — US disclosed
US-9745323-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2017-08-29 — — US disclosed
US-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2015-08-13 — — US disclosed
EP-2881397-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR Kyoto University (JP) 2015-06-10 — — 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-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT MEN1 31/4885KMT2A 277/4885MRE11 4151/4885
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT MEN1 31/4885KMT2A 277/4885MRE11 4151/4885
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor VHL, TP53, COMT MEN1 31/4885KMT2A 277/4885MRE11 4151/4885

“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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