SCHEMBL461478

SCHEMBL461478

Nc1[nH]ncc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 1.00
MAPT P10636 3/20 0.59
AKT1 P31749 2/20 0.59
AKT2 P31751 1/20 0.59
TDP1 Q9NUW8 1/20 0.54
RPS6KA3 P51812 3/20 0.52
AURKA O14965 1/20 0.52
CDK1 P06493 1/20 0.52
LYN P07948 1/20 0.52
PIM1 P11309 1/20 0.52
FGFR1 P11362 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CDK2 P24941 1/20 0.52
MARK3 P27448 1/20 0.52
GSK3B P49841 1/20 0.52
PRKCZ Q05513 1/20 0.52
PRKCD Q05655 1/20 0.52
ERBB4 Q15303 1/20 0.52
CDC42BPA Q5VT25 1/20 0.52

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
SCHEMBL1290061 0.82 LMNA (0.69) LMNAMAPTAKT1AKT2TDP1
SCHEMBL16534777 0.81 LMNA (0.68) LMNAMAPTAKT1TDP1RPS6KA3
SCHEMBL13516123 0.80 LMNA (0.67) LMNAMAPTTDP1PIM1FGFR1
SCHEMBL15020489 0.79 MAPT (0.66) LMNAMAPTAKT1AKT2TDP1
SCHEMBL1245491 0.79 LMNA (0.66) LMNAMAPTAKT1AKT2TDP1
SCHEMBL1248084 0.79 LMNA (0.66) LMNAMAPTTDP1GAAKDM4E
SCHEMBL3472474 0.79 LMNA (0.66) LMNAMAPTTDP1RPS6KA3FGFR1
Hydrochloric Acid SCHEMBL13516653 0.79 LMNA (0.65) LMNAMAPTTDP1PIM1FGFR1
SCHEMBL16346786 0.78 LMNA (0.64) LMNAMAPTAKT1AKT2TDP1
SCHEMBL15715965 0.78 LMNA (0.62) LMNAMAPTTDP1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-06-03 US disclosed
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-06-03 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-20200317674-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2020-10-08 US disclosed
US-20200317674-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2020-10-08 US disclosed
CN-110818683-A 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2020-02-21 CN disclosed
CN-104903310-B Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain 阵列生物制药公司 2018-08-14 CN disclosed
CN-108329246-A Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors 阵列生物制药公司 2018-07-27 CN disclosed
CN-105130967-B Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors 阵列生物制药公司 2018-04-17 CN disclosed
WO-2007147794-A1 FURAN DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 WO disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
CN-101035802-A Inhibitors of IAP GENENTECH INC (US) 2007-09-12 CN disclosed
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (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-20200317674-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ADRM1, LRRK2 LMNA 2489/4885MAPT 2001/4885AKT1 402/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 LMNA 1500/4885MAPT 2274/4885AKT1 1298/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 LMNA 1114/4885MAPT 3629/4885AKT1 362/4885
US-20210163489-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ADRM1, LRRK2 LMNA 2489/4885MAPT 2001/4885AKT1 402/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP LMNA 1353/4885MAPT 3455/4885AKT1 2431/4885

“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.