SCHEMBL12467241

SCHEMBL12467241

NC(=O)c1csc(C2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.42
SPR P35270 2/20 0.40
PIM1 P11309 4/20 0.39
PIM3 Q86V86 4/20 0.39
PIM2 Q9P1W9 4/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
DGAT1 O75907 2/20 0.36
SCD O00767 1/20 0.36
SLC6A3 Q01959 1/20 0.35
CASP8 Q14790 1/20 0.35
AOC3 Q16853 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL2554941 0.91 PIM1 (0.46) HTR2BSPRPIM1PIM3PIM2
SCHEMBL417132 0.89 AOC3 (0.47) HTR2BSPRPIM1PIM3PIM2
SCHEMBL18711312 0.83 SPR (0.47) SPRHRH3SLC6A3
SCHEMBL1141577 0.83 CASP8 (0.49) SLC6A3CASP8
SCHEMBL13754523 0.81 KDM1A (0.41) PIM1PIM3PIM2SLC6A3CASP8
SCHEMBL18397038 0.81 PIM1 (0.41) PIM1PIM3PIM2SLC6A3CASP8
SCHEMBL31216511 0.81 CD38 (0.36) SPRPIM1PIM3PIM2SCD
SCHEMBL28533144 0.81 PIM1 (0.46) PIM1PIM3PIM2SLC6A3AOC3
SCHEMBL18701897 0.80 SPR (0.45) SPRPIM1PIM3PIM2CYP2C19
SCHEMBL14581679 0.79 SMN1; SMN2 (0.34) SPRPIM1PIM3PIM2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US claimed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US claimed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP claimed
CN-103118680-A Heteroarylmethyl amides HOFFMANN LA ROCHE 2013-05-22 CN claimed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO claimed
CN-112272670-B Di-ring derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-12 CN disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP disclosed
WO-2020211798-A1 INHIBITOR CONTAINING BICYCLIC RING DERIVATIVE, AND PREPARATION METHOD AND USES THEREFOR 上海翰森生物医药科技有限公司 2020-10-22 WO disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
CN-106661051-A Antibacterial compounds 莱德克斯制药公共有限公司 2017-05-10 CN disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
CN-103118680-A Heteroarylmethyl amides HOFFMANN LA ROCHE 2013-05-22 CN disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR HTR2B 1901/4885SPR 2776/4885PIM1 4257/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 HTR2B 3302/4885SPR 4283/4885PIM1 233/4885

“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.