SCHEMBL29944203

SCHEMBL29944203

NC(=O)c1cc2ccncc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 1.00
PRKACA P17612 7/20 1.00
GSK3A P49840 7/20 1.00
GSK3B P49841 7/20 1.00
CDK5 Q00535 7/20 1.00
DAPK3 O43293 6/20 1.00
KDR P35968 6/20 1.00
MAPK8 P45983 6/20 1.00
LIMK1 P53667 6/20 1.00
RPS6KA3 P51812 6/20 1.00
DYRK1A Q13627 6/20 1.00
FGFR1 P11362 5/20 1.00
PRKAA1 Q13131 5/20 1.00
AURKB Q96GD4 5/20 1.00
ROCK1 Q13464 5/20 1.00
FLT1 P17948 4/20 1.00
AURKA O14965 4/20 1.00
CSNK1A1 P48729 4/20 1.00
CLK2 P49760 4/20 1.00
MAP4K2 Q12851 4/20 1.00

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
SCHEMBL9230695 1.00 PIM1 (1.00) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL28769185 0.86 DAPK3 (0.76) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL844094 0.84 AURKA (0.73) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL30514630 0.84 AURKA (0.73) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL5951059 0.83 CHEK1 (0.71) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL13977223 0.83 DYRK1A (0.71) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL30568740 0.83 CHEK1 (0.71) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL162420 0.79 CDK8 (0.65) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL7621269 0.79 CDK8 (0.65) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL30298119 0.79 CHEK1 (0.65) PIM1PRKACAGSK3AGSK3BCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994104-A Compound serving as PARP-NAMPT double-target inhibitor and application thereof 天津市医药科学研究所(天津市医药与健康研究中心) 2024-11-22 CN claimed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
CN-118994104-A Compound serving as PARP-NAMPT double-target inhibitor and application thereof 天津市医药科学研究所(天津市医药与健康研究中心) 2024-11-22 CN disclosed
CN-118702627-A CD73 small molecule inhibitor, pharmaceutical composition and application thereof 深圳市新樾生物科技有限公司 2024-09-27 CN disclosed
CN-116730995-B Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-06-25 CN disclosed
WO-2024032715-A1 HYDRAZIDE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳微芯生物科技股份有限公司 2024-02-15 WO disclosed
CN-116730995-A Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-09-12 CN disclosed
CN-113788827-B Phthalazinone compound, preparation method and medical application thereof 中国药科大学 2023-04-25 CN disclosed
US-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2023-04-13 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) VALO HEALTH, INC. (US) 2022-10-25 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 (4 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-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT PIM1 3710/4885PRKACA 2619/4885GSK3A 677/4885
US-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT PIM1 2932/4885PRKACA 902/4885GSK3A 2197/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT PIM1 2932/4885PRKACA 902/4885GSK3A 2197/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 PIM1 3712/4885PRKACA 2472/4885GSK3A 609/4885

“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.