SCHEMBL8619935

SCHEMBL8619935

Cc1ccc(C2=NN(C)C(=O)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.54
GAA P10253 4/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
THRB P10828 2/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 3/20 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
SCHEMBL7707656 0.84 ALDH1A1 (0.55) CD274GAANPC1RAB9ASMN1; SMN2
SCHEMBL1555068 0.84 PDE4A (0.40) CD274GAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8625894 0.84 MAOB (0.42) CD274GAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17290241 0.84 GAA (0.48) CD274GAANPC1RAB9ASMN1; SMN2
SCHEMBL4625694 0.83 GAA (0.54) CD274GAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL8621001 0.81 KMT2A (0.58) CD274GAANPC1RAB9ASMN1; SMN2
SCHEMBL12297731 0.80 GAA (0.44) CD274GAAALDH1A1TDP1KMT2A
SCHEMBL17290583 0.80 PTGS2 (0.41)
SCHEMBL17290769 0.77 XDH (0.39) CD274GAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL17295102 0.77 XDH (0.39) CD274GAARAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170942-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIO INC (US) 2018-06-21 US disclosed
US-RE35801-E PYRAZOLONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-19 US disclosed
EP-0208874-B1 PROPHYLACTIC AND THERAPEUTIC AGENT FOR CIRCULATORY DISORDERS MITSUBISHI KASEI CORPORATION (JP) 1993-03-24 EP disclosed
US-4857542-A INHIBITOR AGAINST LIPID PEROXIDATION MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-08-15 US disclosed
EP-0208874-A1 Prophylactic and therapeutic agent for circulatory disorders MITSUBISHI KASEI CORPORATION (JP) 1987-01-21 EP 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-20180170942-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS KRAS, HRAS, RALA CD274 4368/4885GAA 1479/4885NPC1 1365/4885

“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.