SCHEMBL5791049

SCHEMBL5791049

Nc1cnn2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 6/20 1.00
AXL P30530 1/20 0.60
CDK2 P24941 1/20 0.55
BMP4 P12644 1/20 0.45
IRAK4 Q9NWZ3 7/20 0.42
JAK1 P23458 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
PDE10A Q9Y233 1/20 0.41
HTT P42858 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
Hydrochloric Acid SCHEMBL7798075 0.98 SMPD3 (0.96) SMPD3AXLCDK2BMP4IRAK4
Trifluoroacetic Acid SCHEMBL29977687 0.84 SMPD3 (0.71) SMPD3AXLCDK2IRAK4HTT
SCHEMBL28947639 0.79 SMPD3 (0.66) SMPD3AXLCDK2BMP4IRAK4
SCHEMBL84781 0.75 SMPD3 (0.60) SMPD3AXLCDK2BMP4IRAK4
SCHEMBL15336871 0.75 SMPD3 (0.60) SMPD3AXLCDK2BMP4IRAK4
SCHEMBL1693808 0.75 AXL (1.00) SMPD3AXLCDK2BMP4IRAK4
SCHEMBL24198248 0.75 SMPD3 (0.59) SMPD3AXLCDK2BMP4IRAK4
SCHEMBL14699684 0.72 SMPD3 (0.57) SMPD3AXLCDK2BMP4IRAK4
SCHEMBL946897 0.72 IRAK4 (0.68) SMPD3AXLIRAK4HTTHSD11B1
SCHEMBL30798592 0.72 SMPD3 (0.56) SMPD3AXLCDK2IRAK4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802590-B1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-03-01 EP claimed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US claimed
EP-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP claimed
US-20010020310-A1 Compositions for dyeing keratinous fibres, containing 3-aminopyrazolo[1,5-a]pyrimidines, method of dyeing, and novel 3-aminopyrazolo[1,5-a]pyrimidines L'OREAL S.A. 2001-09-13 US claimed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 WO claimed
US-6248137-B1 Compositions for dyeing keratinous fibres, containing 3-aminopyrazolo [1,5-a]pyrimidines, method of dyeing and novel 3-aminopyrazolo [1,5-a]pyrimidines L'OREAL S.A. (FR) 2001-06-19 US claimed
EP-0926149-B1 Keratin fibre dye composition containing 3-aminopyrazolo-(1,5-a)-pyrimidines, dyeing method , 3-aminopyrazolo-(1,5-a)-pyrimidines and their preparation OREAL (FR) 2001-03-07 EP claimed
EP-0926149-A1 Keratin fibre dye composition containing 3-aminopyrazolo-(1,5-a)-pyrimidines, dyeing method , 3-aminopyrazolo-(1,5-a)-pyrimidines and their preparation L'OREAL (FR) 1999-06-30 EP claimed
JP-11236323-A None JP disclosed
US-20260092069-A1 SUBSTITUTED INDAZOLES AS IRAK4 INHIBITORS ASTRAZENECA AB (SE) 2026-04-02 US disclosed
CN-121537390-A Preparation method of larotinib 苏州立新制药有限公司 2026-02-17 CN disclosed
EP-4674855-A1 A COMPOUND, AN ORGANIC LIGHT EMITTING DIODE COMPRISING THE DERIVATES, A USE OF THE DIODE, AND A CONSUMER PRODUCT Noctiluca S.A. (PL) 2026-01-07 EP disclosed
US-12448385-B2 Substituted indazoles as IRAK4 inhibitors ASTRAZENECA AB (SE) 2025-10-21 US disclosed
US-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-10-02 US disclosed
JP-H11236323-A NEW 3-AMINOPYRAZLO(1, 5-A)PYRIMIDINE, COMPOSITION FOR DYEING KERATINOUS FIBER CONTAINING THE SAME AND DYEING BY USING THE SAME L'OREAL SA 1999-08-31 JP disclosed
EP-0926149-A1 Keratin fibre dye composition containing 3-aminopyrazolo-(1,5-a)-pyrimidines, dyeing method , 3-aminopyrazolo-(1,5-a)-pyrimidines and their preparation L'OREAL (FR) 1999-06-30 EP disclosed
EP-0926149-A1 Keratin fibre dye composition containing 3-aminopyrazolo-(1,5-a)-pyrimidines, dyeing method , 3-aminopyrazolo-(1,5-a)-pyrimidines and their preparation L'OREAL (FR) 1999-06-30 EP disclosed
EP-0926149-A1 Keratin fibre dye composition containing 3-aminopyrazolo-(1,5-a)-pyrimidines, dyeing method , 3-aminopyrazolo-(1,5-a)-pyrimidines and their preparation L'OREAL (FR) 1999-06-30 EP disclosed
EP-0847271-A1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE L'OREAL (FR) 1998-06-17 EP disclosed
WO-1997049378-A1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE L'OREAL (FR) 1997-12-31 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-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB SMPD3 2244/4885AXL 4648/4885CDK2 713/4885
US-20260092069-A1 SUBSTITUTED INDAZOLES AS IRAK4 INHIBITORS IRAK3, IRAK4, IRAK2 SMPD3 3382/4885AXL 1091/4885CDK2 1463/4885
US-12448385-B2 Substituted indazoles as IRAK4 inhibitors IRAK4, IRAK1, IRAK2 SMPD3 3986/4885AXL 1154/4885CDK2 885/4885
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods FH, KRT18, CYB5R3 SMPD3 4708/4885AXL 1361/4885CDK2 1001/4885
US-20010020310-A1 Compositions for dyeing keratinous fibres, containing 3-aminopyrazolo[1,5-a]pyrimidines, method of dyeing, and novel 3-aminopyrazolo[1,5-a]pyrimidines DPYD, KRT18, PNPO SMPD3 4078/4885AXL 1232/4885CDK2 1090/4885

“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.