SCHEMBL7530709

SCHEMBL7530709

Cc1nn(C)c(NCC(C)(C)C)c1Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK8 P45983 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA2B P18089 1/20 0.37
GAA P10253 4/20 0.36
BRAF P15056 1/20 0.36
KDM1A O60341 3/20 0.36
PLK1 P53350 1/20 0.35

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
SCHEMBL7530442 0.86 KMT2A (0.41) KDM4EGALR3MAPTHTTSMN1; SMN2
SCHEMBL7531783 0.83 MAPT (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6281303 0.80 PDE4A (0.43) CA12CA2CA9PDE4APDE4B
SCHEMBL7532632 0.74 RAPGEF4 (0.37) GALR3MAPTHTTSMN1; SMN2GAA
SCHEMBL7532592 0.72 ADRA2C (0.39) KDM4EADRA2CGAANMT1POLB
SCHEMBL7531156 0.71 NMT1 (0.41) KDM4EMAPTHTTSMN1; SMN2PLK1
SCHEMBL7531677 0.71 SMN1; SMN2 (0.40) KDM4EMAPTHTTSMN1; SMN2GAA
SCHEMBL7527986 0.70 NUDT1 (0.36) KDM4E
SCHEMBL7533638 0.69
SCHEMBL1798141 0.69 MAPT (0.49) CA12CA2CA9PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032198-A1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2002-03-14 US claimed
US-6319941-B1 TREATMENT OF SMOOTH MUSCLE SPASTICITY OR EXCESS MUSCLE CONTRACTION SUCH AS URGE URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-11-20 US claimed
US-6458823-B1 4,5-DIAMINO DERIVATIVES OF (1H)- PYRAZOLES AND THEIR USE IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, WHICH INCLUDE, URINARY INCONTINENCE, HYPERTENSION, ASTHAMA, PREMATURE LABOR, IRRITABLE BOWL SYNDROM WYETH 2002-10-01 US disclosed
US-20020032198-A1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2002-03-14 US disclosed
US-6319941-B1 TREATMENT OF SMOOTH MUSCLE SPASTICITY OR EXCESS MUSCLE CONTRACTION SUCH AS URGE URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-11-20 US disclosed
US-6313149-B1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2001-11-06 US disclosed
US-6172222-B1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2001-01-09 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-20020032198-A1 Diaminopyrazoles ODC1, AOC1, CLIC1 CA12 2030/4885CA2 247/4885CA9 1749/4885

“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.