SCHEMBL3500484

SCHEMBL3500484

Nc1cc(-c2cccs2)n(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ PLK3 Q9H4B4 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ RET P07949 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ LTK P29376 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAP2K2 P36507 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CDK5 Q00535 1/20 0.42

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
SCHEMBL3500082 0.79 HDAC1 (0.41) HDAC1HDAC2HDAC3KDM4EMAPT
SCHEMBL14232845 0.73 NPC1 (0.41) KMT2AL3MBTL1ALDH1A1MEN1TDP1
SCHEMBL3499789 0.70 KDM4E (0.43) KMT2AL3MBTL1MEN1HDAC1HDAC2
SCHEMBL570365 0.68 PIM1 (0.54) PIM1PIM3PLK3PIM2AURKA
Carbamic Acid SCHEMBL9378352 0.67 KDM4E (0.52) KMT2AL3MBTL1ALDH1A1MEN1HDAC1
SCHEMBL20488789 0.66 PIM1 (0.51) PIM1PIM3PLK3PIM2AURKA
SCHEMBL23733632 0.65 APEX1 (0.44) PIM1PIM3PLK3PIM2AURKA
SCHEMBL173908 0.65 ENPP3 (0.42) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL14688131 0.65 F2 (0.56) KMT2AL3MBTL1ALDH1A1MEN1TDP1
SCHEMBL2851228 0.65 PIM1 (0.41) PIM1PIM3PLK3PIM2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2010-07-22 — — 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 (1 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-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S PSEN2, APP, PSEN1 PIM1 4082/4885PIM3 4100/4885PLK3 1295/4885

“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.

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