SCHEMBL4405590

SCHEMBL4405590

Cc1nnn(Cc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
NPC1 O15118 3/20 0.54
CYP19A1 P11511 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.42
P2RX7 Q99572 1/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.42
CASP3 P42574 1/20 0.42
NR1H3 Q13133 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 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
SCHEMBL21793669 0.83 KMT2A (0.55) RAB9AL3MBTL1NPC1SMN1; SMN2KDM4E
SCHEMBL1631363 0.81 P2RX7 (0.51) RAB9AL3MBTL1ALDH1A1P2RX7
SCHEMBL21794795 0.79 NPC1 (0.60) RAB9AL3MBTL1NPC1SMN1; SMN2KDM4E
SCHEMBL4414649 0.78 RAB9A (0.65) RAB9AL3MBTL1NPC1CYP19A1SMN1; SMN2
SCHEMBL4413954 0.78 RAB9A (0.65) RAB9AL3MBTL1NPC1CYP19A1SMN1; SMN2
SCHEMBL4409125 0.78 RAB9A (0.59) RAB9AL3MBTL1NPC1CYP19A1SMN1; SMN2
SCHEMBL12359857 0.78 TSHR (0.44) RAB9AL3MBTL1NPC1CYP19A1SMN1; SMN2
SCHEMBL31273014 0.78 MAPT (0.46) RAB9AL3MBTL1NPC1TSHRALDH1A1
SCHEMBL2326678 0.77 RAB9A (0.62) RAB9AL3MBTL1NPC1CYP19A1SMN1; SMN2
SCHEMBL4413466 0.77 RAB9A (1.00) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6

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-10865195-B2 Pet imaging agents NOVARTIS AG (CH) 2020-12-15 US disclosed
CN-107406419-B PET imaging agent 诺华股份有限公司 2020-09-11 CN disclosed
US-10450298-B2 PET Imaging agents NOVARTIS AG (CH) 2019-10-22 US disclosed
US-20180273509-A1 PET Imaging Agents NOVARTIS AG (CH) 2018-09-27 US disclosed
EP-3247706-A1 PET IMAGING AGENTS Novartis AG (CH) 2017-11-29 EP disclosed
WO-2016116875-A1 PET IMAGING AGENTS NOVARTIS AG (CH) 2016-07-28 WO disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP disclosed
WO-2008019289-A2 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
WO-2007125398-A2 : SULFONAMIDE COMPOUNDS AS ANTAGONISTS OF THE N-TYPE CALCIUM CHANNEL PFIZER JAPAN INC. (JP) 2007-11-08 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 (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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 RAB9A 3922/4885L3MBTL1 3365/4885NPC1 314/4885
US-10450298-B2 PET Imaging agents ENPP2, EPX, MAN2B1 RAB9A 1493/4885L3MBTL1 3517/4885NPC1 1897/4885
US-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 RAB9A 2137/4885L3MBTL1 4045/4885NPC1 2015/4885
US-10865195-B2 Pet imaging agents ENPP2, EPX, MAN2B1 RAB9A 1493/4885L3MBTL1 3517/4885NPC1 1897/4885
US-20180273509-A1 PET Imaging Agents ENPP2, EPX, MAN2B1 RAB9A 1493/4885L3MBTL1 3517/4885NPC1 1897/4885

“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.