SCHEMBL3223685

SCHEMBL3223685

Cc1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
NPC1 O15118 8/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
LMNA P02545 2/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
RECQL P46063 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
AGER Q15109 1/20 0.71
SCD O00767 1/20 0.68
HSD17B10 Q99714 2/20 0.68
ADORA2A P29274 5/20 0.66
MAPT P10636 2/20 0.65
KDM4E B2RXH2 1/20 0.65
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
PPARG P37231 1/20 0.63
NCOR2 Q9Y618 1/20 0.63
POLB P06746 2/20 0.62
ESR2 Q92731 1/20 0.62

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
SCHEMBL4290771 0.85 NPC1 (0.79) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL15070451 0.85 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL5502572 0.84 AGER (0.76) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL4295195 0.84 RAB9A (0.76) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL4287847 0.84 AGER (0.76) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL16378731 0.84 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL3200814 0.84 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL2307971 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL28801036 0.84 NPC1 (0.72) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL4293350 0.84 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495475-A Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LTD (GB) 2009-07-29 CN claimed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 US claimed
EP-1865959-A2 PROCESS FOR PREPARING PYRIDOÝ2,3-D¨PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDOÝ4,5-D¨PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-12-19 EP claimed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 US claimed
WO-2006104917-A2 PROCESS FOR PREPARING PYRIDO[2,3-D]PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-10-05 WO claimed
US-20100069409-A1 \"NOVEL COMPOUNDS\ GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2010-01-28 US disclosed
US-7582665-B2 Heterocyclic sulfur compounds and/or prodrugs administered for prophylaxis of thrombocytopenia, anemia or blood disorders SHIONOGI & CO., LTD. (JP) 2009-09-01 US disclosed
CN-101495475-A Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LTD (GB) 2009-07-29 CN disclosed
US-20090048444-A1 Process for Preparing Pyrido[2,3-d]pyrimidin-7-one and 3,4-Dihydropyrimido[4,5-d]pyrimidin-2(1H)-one Derivatives GLAXO GROUP LIMITED 2009-02-19 US disclosed
US-7479558-B2 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2009-01-20 US disclosed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 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 (5 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-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 RAB9A 1737/4885NPC1 4045/4885SMN1; SMN2 2387/4885
US-20090048444-A1 Process for Preparing Pyrido[2,3-d]pyrimidin-7-one and 3,4-Dihydropyrimido[4,5-d]pyrimidin-2(1H)-one Derivatives CBR3, CBR1, CYP2S1 RAB9A 2310/4885NPC1 3983/4885SMN1; SMN2 2341/4885
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives CYP2S1, CYP2F1, CBR3 RAB9A 1800/4885NPC1 3552/4885SMN1; SMN2 2198/4885
US-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM THPO, MPL, TEK RAB9A 1898/4885NPC1 3951/4885SMN1; SMN2 1546/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 RAB9A 1298/4885NPC1 2563/4885SMN1; SMN2 3061/4885

“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.