SCHEMBL2066583

SCHEMBL2066583

COCCn1nc(C)c([N+](=O)[O-])c1C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
HTT P42858 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL17164717 0.91 NPC1 (0.54) NPC1RAB9AHTTPOLBALDH1A1
SCHEMBL17164723 0.82 NPC1 (0.51) NPC1RAB9AHTTPOLBALDH1A1
SCHEMBL18354808 0.81 NPC1 (0.56) NPC1RAB9AHTTPOLBALDH1A1
SCHEMBL12479809 0.80 HTT (0.55) NPC1RAB9AHTTPOLBALDH1A1
SCHEMBL16943099 0.80 NPC1 (0.55) NPC1RAB9AHTTPOLBALDH1A1
SCHEMBL16832401 0.79 SMN1; SMN2 (0.58) NPC1RAB9AHTTPOLBALDH1A1
SCHEMBL1521469 0.76 HTT (0.56) NPC1RAB9AHTTPOLBALDH1A1
SCHEMBL8657291 0.76 HTT (0.57) NPC1RAB9AHTTPOLBALDH1A1
SCHEMBL6418088 0.74 HTT (0.57) NPC1RAB9AHTTPOLBALDH1A1
SCHEMBL15080866 0.73 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 US disclosed
US-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-06 US disclosed
EP-3283642-B1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RES CENTER HOLDING B V (NL) 2023-10-11 EP disclosed
CN-114592061-A Prognostic biomarkers for TTK inhibitor chemotherapy 荷兰转化研究中心有限责任公司 2022-06-07 CN disclosed
CN-107567503-B Prognostic biomarkers for TTK inhibitor chemotherapy 荷兰转化研究中心有限责任公司 2022-03-22 CN 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
CN-106132963-B (5, 6-dihydro) pyrimido [4,5-e ] indolizines 荷兰转化研究中心有限责任公司 2019-08-06 CN 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
CN-106132963-A (5, 6-dihydro) pyrimido [4,5-e ] indolizines 荷兰转化研究中心有限责任公司 2016-11-16 CN disclosed
WO-2016166255-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2016-10-20 WO disclosed
WO-2015155042-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2015-10-15 WO disclosed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 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 (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-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK NPC1 3544/4885RAB9A 3817/4885HTT 3885/4885
US-20220056540-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY TTBK1, CTNNB1, TTK NPC1 3544/4885RAB9A 3817/4885HTT 3885/4885
US-20190211401-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY TTBK1, CTNNB1, TTK NPC1 3544/4885RAB9A 3817/4885HTT 3885/4885
US-11208696-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK NPC1 3544/4885RAB9A 3817/4885HTT 3885/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 NPC1 412/4885RAB9A 696/4885HTT 1605/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 NPC1 412/4885RAB9A 696/4885HTT 1605/4885

“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.