SCHEMBL10189352

SCHEMBL10189352

COc1ccc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)cc1NC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CIT O14578 1/20 0.33
AAK1 Q2M2I8 6/20 0.33
RXFP1 Q9HBX9 1/20 0.32
NPY4R P50391 2/20 0.32
NPY1R P25929 1/20 0.32
PRKCZ Q05513 1/20 0.32
MAPT P10636 2/20 0.32
CASR P41180 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
PTAFR P25105 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
SCHEMBL10189351 1.00 CIT (0.33) CITAAK1RXFP1NPY4RNPY1R
SCHEMBL10241741 0.92 CIT (0.34) CITAAK1RXFP1NPY4RNPY1R
SCHEMBL10241719 0.92 CIT (0.34) CITAAK1RXFP1NPY4RNPY1R
Hydrochloric Acid SCHEMBL624355 0.91 CIT (0.34) CITAAK1RXFP1NPY4RNPY1R
SCHEMBL10189345 0.88 SUV39H2 (0.38) CITAAK1ROCK2ROCK1
SCHEMBL10189348 0.88 SUV39H2 (0.38) CITAAK1ROCK2ROCK1
SCHEMBL10189338 0.87 CIT (0.36) CITAAK1PRKCZMAPTPOLB
SCHEMBL10189335 0.87 CIT (0.36) CITAAK1PRKCZMAPTPOLB
SCHEMBL10189342 0.86 CIT (0.39) CITAAK1PRKCZMAPTCASR
SCHEMBL10189337 0.86 CIT (0.39) CITAAK1PRKCZMAPTCASR

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-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 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 (2 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-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885RXFP1 847/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885RXFP1 847/4885

“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.