SCHEMBL3545889

SCHEMBL3545889

Cc1cc(C(=O)NC2CCN(C)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK14 Q16539 3/20 0.47
SMYD3 Q9H7B4 2/20 0.47
DRD4 P21917 1/20 0.46
CNR2 P34972 2/20 0.46
HPGD P15428 1/20 0.46
GLA P06280 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RIPK2 O43353 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
SCHEMBL3754370 0.89 MAPK14 (0.57) NPC1RAB9ACYP2C9MAPK14SMYD3
SCHEMBL24553265 0.87 GLA (0.56) NPC1RAB9ACYP3A4CYP2C9MAPK14
SCHEMBL7880726 0.86 HTR1D (0.54) NPC1RAB9ADRD4CNR2HPGD
SCHEMBL30356809 0.86 SMYD3 (0.47) SMYD3DRD4HPGDSLC6A5HDAC4
SCHEMBL31495203 0.86 HTR1D (0.54) NPC1RAB9ADRD4CNR2HPGD
SCHEMBL13363749 0.86 SMYD3 (0.47) SMYD3DRD4HPGDSLC6A5HDAC4
SCHEMBL28079514 0.86 RAB9A (0.60) NPC1RAB9ACYP3A4CYP2C9CNR2
SCHEMBL13575587 0.86 NPC1 (0.54) NPC1RAB9AMAPK14DRD4SLC6A5
SCHEMBL1559555 0.85 KMT2A (0.49) SMYD3CNR2SLC6A5
SCHEMBL3543621 0.85 HDAC6 (0.52) SMYD3HPGDSLC6A5HDAC4HDAC6

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 18 patents. 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
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
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
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
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009112524-A1 PYRIDOPYRIMIDINES AS PLK1 ( POLO-LIKE KINASE) INHIBITORS 4SC AG (DE) 2009-09-17 WO disclosed
EP-2100894-A1 Pyridopyrimidines used as Plk1 (polo-like kinase) inhibitors 4SC AG (DE) 2009-09-16 EP disclosed
CN-101511836-A Fused pyrimido compounds ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES DHFR, CYP2D6, DPYD NPC1 1874/4885RAB9A 539/4885CYP3A4 23/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 NPC1 13/4885RAB9A 1172/4885CYP3A4 71/4885

“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.