SCHEMBL12423904

SCHEMBL12423904

CCCN1CCC(C(C)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL6026443 0.87 SLC18A3 (0.43) CARM1PRMT6
SCHEMBL16508783 0.85 DRD2 (0.42) DRD2SMN1; SMN2CARM1PRMT6GNAI3
SCHEMBL25075222 0.85 CARM1 (0.37) CARM1PRMT6GNAI3GNAO1GNAI1
SCHEMBL3476561 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CARM1PRMT6
SCHEMBL25147587 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CARM1PRMT6
SCHEMBL25147585 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CARM1PRMT6
SCHEMBL4762635 0.82 DRD2 (0.46) DRD2GNAI3GNAO1GNAI1SLC6A4
SCHEMBL24491629 0.80 DRD2 (0.39) DRD2SMN1; SMN2CARM1PRMT6GNAI3
SCHEMBL24491624 0.80 DRD2 (0.39) DRD2SMN1; SMN2CARM1PRMT6GNAI3
SCHEMBL12423900 0.80 KDM1A (0.40) CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 DRD2 2222/4885SMN1; SMN2 4230/4885CARM1 845/4885

“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.