SCHEMBL4404019

SCHEMBL4404019

Cn1c(CC(C)(C)C)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
GAA P10253 2/20 0.59
PKM P14618 2/20 0.59
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 3/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
TP53 P04637 1/20 0.55
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PDE10A Q9Y233 1/20 0.53
CYP2D6 P10635 1/20 0.53
USP2 O75604 1/20 0.51

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
SCHEMBL3397691 0.84 RAB9A (0.55) GAAPKMRAB9ANPC1SMN1; SMN2
SCHEMBL13233307 0.83 MAPT (0.59) MEN1KMT2AGAAPKMRAB9A
SCHEMBL19214776 0.82 NPC1 (0.54) GAAPKMRAB9ANPC1SMN1; SMN2
SCHEMBL1059693 0.81 RAB9A (0.64) GAAPKMRAB9ANPC1SMN1; SMN2
SCHEMBL29087538 0.80 MAPT (0.56) GAAPKMRAB9ANPC1SMN1; SMN2
SCHEMBL757031 0.79 RAB9A (0.62) MEN1KMT2AGAAPKMRAB9A
SCHEMBL30037937 0.79 RAB9A (0.62) MEN1KMT2AGAAPKMRAB9A
SCHEMBL15978916 0.79 MEN1 (0.68) MEN1KMT2AGAAPKMRAB9A
SCHEMBL26622829 0.79 PKM (0.68) MEN1KMT2AGAAPKMRAB9A
SCHEMBL12776009 0.79 KMT2A (0.72) MEN1KMT2AGAAPKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-7932257-B2 Substituted pyrazolo[4,3-d]pyrimidines as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 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 (11 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 MEN1 2026/4885KMT2A 186/4885GAA 4034/4885
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DHFR MEN1 3374/4885KMT2A 3151/4885GAA 1146/4885
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MEN1 4641/4885KMT2A 2066/4885GAA 553/4885
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG MEN1 3652/4885KMT2A 1612/4885GAA 2982/4885
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC MEN1 1102/4885KMT2A 529/4885GAA 2817/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MEN1 4641/4885KMT2A 2066/4885GAA 553/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC MEN1 1380/4885KMT2A 622/4885GAA 3181/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A MEN1 2891/4885KMT2A 1451/4885GAA 678/4885
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof SDHA, SDHB, DPYD MEN1 3100/4885KMT2A 3060/4885GAA 1265/4885
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD MEN1 3100/4885KMT2A 3060/4885GAA 1265/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MEN1 2476/4885KMT2A 1713/4885GAA 2424/4885

“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.