SCHEMBL9901129

SCHEMBL9901129

N#Cc1c(N)[se]c2c1CCNC2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
PNMT P11086 1/20 0.31
PRKACA P17612 2/20 0.31
PRKACG P22612 2/20 0.31
PRKACB P22694 2/20 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
SCHEMBL9901226 0.74 BPTF (0.43)
SCHEMBL2962126 0.66 BPTF (0.59) PNMT
SCHEMBL21598822 0.62 BPTF (0.59) PNMT
SCHEMBL1967112 0.60 ALDH1A1 (0.52)
SCHEMBL31171608 0.60
SCHEMBL7332695 0.59
Hydrochloric Acid SCHEMBL31171505 0.59
SCHEMBL24891788 0.59 HTT (0.46) DRD2DRD3PNMT
SCHEMBL18506968 0.59 PNMT (0.39) DRD2DRD3PNMT
SCHEMBL21605445 0.57 DRD2 (0.36) DRD2DRD3PNMT

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-9090633-B2 Substituted 4-(arylamino) selenophenopyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2015-07-28 US disclosed
EP-2648509-B1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-04-29 EP disclosed
US-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-31 US disclosed
EP-2648509-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2013-10-16 EP disclosed
WO-2012077135-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2012-06-14 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-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF SELENOI, VHL, DPYD CD44 3393/4885DRD2 4777/4885DRD3 4801/4885

“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.