SCHEMBL4144972

SCHEMBL4144972

COc1ncc(C=CC(=O)O)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ GAA P10253 3/20 0.38
▸ MAP3K7 O43318 1/20 0.37
▸ TAB1 Q15750 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PLAU P00749 3/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL4144963 1.00 THRB (0.38) THRBATMKDM4EGAAMAP3K7
SCHEMBL3930316 0.83 MYC (0.40) THRBATMKDM4EGAAMAP3K7
SCHEMBL3930323 0.83 MYC (0.40) THRBATMKDM4EGAAMAP3K7
SCHEMBL10313863 0.82 DPP4 (0.47) KDM4EALDH1A1CNKSR1CA12CA1
SCHEMBL29446160 0.82 DPP4 (0.47) KDM4EALDH1A1CNKSR1CA12CA1
SCHEMBL10314039 0.82 DPP4 (0.47) KDM4EALDH1A1CNKSR1CA12CA1
SCHEMBL12094142 0.78 CYP1A2 (0.34) ALDH1A1MAP4K4HSD17B10PLAUMEN1
SCHEMBL10323668 0.77 CYP1A2 (0.36) KDM4EALDH1A1MAP4K4HSD17B10PLAU
SCHEMBL25345948 0.76 PLAU (0.44) KDM4EGAAMAP3K7TAB1ALDH1A1
SCHEMBL4715171 0.76 MEN1 (0.42) THRBKDM4EGAAMAP3K7TAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283642-B1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RES CENTER HOLDING B V (NL) 2023-10-11 — — EP disclosed
US-20220056540-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2022-02-24 — — US disclosed
US-11208696-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2021-12-28 — — US disclosed
US-20190211401-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2019-07-11 — — US disclosed
EP-3129374-B1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2018-12-19 — — EP disclosed
US-9856258-B2 (5,6-dihydro)pyrimido[4,5-E]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2018-01-02 — — US disclosed
US-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2017-04-06 — — US disclosed
EP-3129374-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES Netherlands Translational Research Center B.V. (NL) 2017-02-15 — — EP disclosed
WO-2015155042-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2015-10-15 — — WO disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 — — EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 — — US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 — — US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 — — US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 — — US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 — — 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 (6 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-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES DHFR, CYP2D6, DPYD THRB 1117/4885ATM 2285/4885KDM4E 754/4885
US-20220056540-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY TTBK1, CTNNB1, TTK THRB 120/4885ATM 304/4885KDM4E 2628/4885
US-20190211401-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY TTBK1, CTNNB1, TTK THRB 120/4885ATM 304/4885KDM4E 2628/4885
US-11208696-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK THRB 120/4885ATM 304/4885KDM4E 2628/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 THRB 3857/4885ATM 4825/4885KDM4E 1732/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 THRB 3873/4885ATM 4830/4885KDM4E 1786/4885

“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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