SCHEMBL3577140

SCHEMBL3577140

COc1ccc(Cl)cc1C(=O)Nc1c[nH]nc1-c1nn(C)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
JAK2 O60674 6/20 0.48
JAK1 P23458 6/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
KLF5 Q13887 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.48
TYK2 P29597 4/20 0.46
JAK3 P52333 4/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3572764 0.89 KCNMA1 (0.48) KCNMA1MEN1KMT2AUSP2MAPK1
SCHEMBL3579336 0.83 MEN1 (0.45) KCNMA1MEN1KMT2AUSP2MAPK1
Hydrochloric Acid SCHEMBL3585786 0.83 MEN1 (0.44) KCNMA1MEN1KMT2AUSP2MAPK1
SCHEMBL14780738 0.79 NPC1 (0.52) KCNMA1MEN1KMT2AUSP2MAPK1
SCHEMBL14511716 0.77 KCNMA1 (0.48) KCNMA1MEN1KMT2AUSP2MAPK1
SCHEMBL1644740 0.75 KCNMA1 (0.60) KCNMA1MEN1KMT2AUSP2MAPK1
SCHEMBL546611 0.73 LMNA (0.50) MEN1KMT2AUSP2MAPK1SMN1; SMN2
SCHEMBL1646133 0.72 EGFR (0.45) KCNMA1MEN1KMT2AUSP2MAPK1
SCHEMBL8305800 0.71 LMNA (0.49) KMT2AUSP2MAPK1NPC1POLB
SCHEMBL12252768 0.70 NPC1 (0.56) KCNMA1MEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 KCNMA1 1684/4885MEN1 1244/4885KMT2A 586/4885

“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.