SCHEMBL3527622

SCHEMBL3527622

CC(C)C(=O)Nc1nc2c(c(-c3ccccc3Cl)n1)CNCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
NUDT1 P36639 1/20 0.41
ADORA1 P30542 2/20 0.40
ADORA2A P29274 1/20 0.40
LIMK1 P53667 1/20 0.39
NOS1 P29475 1/20 0.38
USP2 O75604 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HTR7 P34969 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL3435180 0.82 ADORA1 (0.43) MAPK14ADORA1ADORA2AUSP2PDCD1
SCHEMBL116629 0.77 LMNA (0.47) MAPK14KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3528234 0.77 PRLHR (0.42) ALDH1A1LMNA
SCHEMBL3528638 0.76 MEN1 (0.37) MAPK14KMT2AMEN1LMNA
SCHEMBL15662917 0.76 HTR7 (0.44) MAPK14PDCD1CD274HTR7HTR2A
SCHEMBL15662918 0.74 MAPK14 (0.48) MAPK14ADORA1ADORA2AHTR7HTR2A
Hydrochloric Acid SCHEMBL3114438 0.66 HTR7 (0.45) PDCD1CD274HTR7HTR2AHTR2C
SCHEMBL183591 0.64 HTR2C (0.55) HTR7HTR2AHTR2CHTR2B
SCHEMBL3526000 0.64 TSPO (0.52) NUDT1ADORA1ADORA2ALIMK1KMT2A
SCHEMBL13256307 0.64 LIMK1 (0.49) LIMK1KMT2AMEN1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 US disclosed
US-20120101115-A1 Compounds For Inducing Cellular Apoptosis QUEEN MARY AND WESTFIELD COLLEGE (GB) 2012-04-26 US disclosed
WO-2010125343-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2010-11-04 WO 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-20120101115-A1 Compounds For Inducing Cellular Apoptosis BAD, BAX, CASP3 MAPK14 987/4885NUDT1 814/4885ADORA1 4190/4885

“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.