SCHEMBL2244045

SCHEMBL2244045

Cc1cc(Cl)nc(N(C(=O)OC(C)(C)C)C(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HTT P42858 3/20 0.32
ACACB O00763 2/20 0.31
ACACA Q13085 2/20 0.31
LCK P06239 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4439238 0.85 SMN1; SMN2 (0.36) KMT2ALMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL29060426 0.80 LMNA (0.35) KMT2ALMNASTK17BSTK17AHSP90AA1
SCHEMBL18167877 0.75 STK17B (0.37) KMT2ALMNASTK17BSTK17AHSP90AA1
SCHEMBL22509297 0.74 PAX8 (0.39) KMT2ALMNAALDH1A1STK17BSTK17A
SCHEMBL22502038 0.72 STK17B (0.35) KMT2ALMNASTK17BSTK17AHSP90AA1
SCHEMBL28561925 0.72 SSTR4 (0.37) KMT2ALMNAALDH1A1MAPK1
SCHEMBL8819965 0.71 SYK (0.35) KMT2ALMNASTK17BSTK17AHSP90AA1
SCHEMBL28960930 0.71 KMT2A (0.42) KMT2ALMNASTK17BSTK17AHSP90AA1
SCHEMBL4555591 0.70 TAS1R3 (0.39) KMT2ALMNASMN1; SMN2ALDH1A1STK17B
SCHEMBL1053992 0.69 HSP90AA1 (0.36) KMT2ALMNASTK17BSTK17AHSP90AA1

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-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 KMT2A 139/4885LMNA 2517/4885SMN1; SMN2 1814/4885

“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.