SCHEMBL6126372

SCHEMBL6126372

c1nc(Nc2cc[se]c2)c2occc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
EGFR P00533 3/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
ERBB2 P04626 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
LTK P29376 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
RPS6KA3 P51812 1/20 0.33
LIMK1 P53667 1/20 0.33
MAP2K1 Q02750 1/20 0.33
ACVR1 Q04771 1/20 0.33
TYRO3 Q06418 1/20 0.33
MAP4K2 Q12851 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL6125849 0.73 EGFR (0.66) EGFRABCG2CLK4DAPK3MAP4K4
SCHEMBL30748895 0.71 IRAK4 (0.52) IRAK4EGFRCLK4MAP4K4ALDH1A1
SCHEMBL29118643 0.71 IRAK4 (0.49) IRAK4EGFRABCG2CLK4DAPK3
SCHEMBL30791007 0.65 MEN1 (0.44) IRAK4AURKBHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL29539448 0.64 MEN1 (0.43) IRAK4AURKBHSD17B10MEN1KMT2A
SCHEMBL21187403 0.63 IRAK4 (0.69) IRAK4EGFRCLK4ALDH1A1LMNA
SCHEMBL1369046 0.62 PDE4A (0.43) IRAK4DYRK1AALDH1A1LMNAKMT2A
SCHEMBL12143633 0.61 IRAK4 (0.42) IRAK4CLK4LMNATSHRCYP1A2
SCHEMBL1789394 0.61 PI4KA (0.42) IRAK4MAP4K4LIMK1DYRK1AALDH1A1
SCHEMBL2971145 0.61 IRAK4 (0.39) IRAK4

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
EP-2640392-B1 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-01-07 EP disclosed
US-8815879-B2 Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (US) 2014-08-26 US disclosed
US-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-10 US disclosed
EP-2640392-A2 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2013-09-25 EP disclosed
WO-2012066578-A2 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2012-05-24 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-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF RPS6, SULT1E1, SCLY IRAK4 3204/4885EGFR 319/4885ABCG2 607/4885

“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.