SCHEMBL3239802

SCHEMBL3239802

c1cc2c(cc1SC1CCC1)CCN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
AR P10275 1/20 0.38
PTGIR P43119 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL3238593 0.97 DRD2 (0.46) DRD2DRD4MAOAMAOBAR
SCHEMBL8526813 0.77 DRD2 (0.57) DRD2DRD4MAPTKDM4ECA12
SCHEMBL27265657 0.74 DRD2 (0.53) DRD2DRD4MAPTKDM4ECA12
SCHEMBL288350 0.74 DRD2 (0.53) DRD2DRD4MAPTKDM4ECA12
SCHEMBL3244192 0.73 DRD2 (0.45) DRD2DRD4ARMAPTKDM4E
SCHEMBL3238840 0.70 DRD2 (0.49) DRD2DRD4MAPTKDM4ECA12
SCHEMBL3245294 0.70 DRD2 (0.49) DRD2DRD4MAPTKDM4ECA12
SCHEMBL3238417 0.70 DRD2 (0.49) DRD2DRD4ARMAPTKDM4E
SCHEMBL4624877 0.69 DRD2 (0.47) DRD2DRD4MAPTKDM4ECA12
SCHEMBL20666512 0.68 MAPT (0.50) DRD2DRD4MAPTKDM4ECA12

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 6 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
CN-101896481-B Pyrimidyl indoline compound DAIICHI SANKYO CO LTD 2014-04-30 CN disclosed
US-8232287-B2 Pyrimidyl indoline compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-31 US disclosed
CN-101896481-A Pyrimidyl indoline compound DAIICHI SANKYO CO LTD 2010-11-24 CN 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 DRD2 1855/4885DRD4 614/4885MAOA 2014/4885

“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.