SCHEMBL3241340

SCHEMBL3241340

CCCS(=O)(=O)c1ccc2c(c1)CCN2c1cc(Cl)ncn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.45
GPR119 Q8TDV5 12/20 0.45
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
ADRB3 P13945 3/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 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
SCHEMBL3238584 0.92 ROCK1 (0.47) ROCK1GPR119ADRB2ADRB1ADRB3
SCHEMBL288791 0.85 ROCK1 (0.61) ROCK1GPR119
SCHEMBL3238555 0.82 ROCK1 (0.47) ROCK1GPR119
SCHEMBL3238597 0.78 GPR119 (0.59) GPR119
Hydrochloric Acid SCHEMBL3241514 0.77 GPR119 (0.59) GPR119
SCHEMBL17091622 0.76 GPR119 (0.64) GPR119
SCHEMBL515085 0.74 KMT2A (0.49) ROCK1MAPT
SCHEMBL14323880 0.73 TNNI3K (0.40) ROCK1GPR119
SCHEMBL288160 0.73 ROCK1 (0.41) ROCK1GPR119
SCHEMBL3246022 0.73 GPR119 (0.66) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210886-B1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-09-23 EP disclosed
US-8232287-B2 Pyrimidyl indoline compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-31 US disclosed
US-20100292259-A1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-18 US disclosed
EP-2210886-A1 PYRIMIDYL INDOLINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-07-28 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-20100292259-A1 PYRIMIDYL INDOLINE COMPOUND GPR119, SLC5A2, SLC5A1 ROCK1 4242/4885GPR119 1/4885ADRB2 1249/4885

“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.