SCHEMBL2809213

SCHEMBL2809213

CN(C(=O)C1(NC(=O)c2cncnc2)CC1)c1ccc(Nc2c(F)cccc2C(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
JAK2 O60674 1/20 0.34
BDKRB1 P46663 5/20 0.34
PDE10A Q9Y233 2/20 0.33
MPL P40238 2/20 0.33
BRAF P15056 1/20 0.33
PTGS2 P35354 1/20 0.32
CNR1 P21554 1/20 0.32
MAP4K1 Q92918 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
LCK P06239 2/20 0.31
KIT P10721 1/20 0.31
SRC P12931 1/20 0.31
MAPK14 Q16539 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 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
SCHEMBL2811232 0.92 BRAF (0.36) BDKRB1MPLBRAFHDAC3HDAC1
SCHEMBL2806523 0.92 BDKRB1 (0.33) JAK1JAK3JAK2BDKRB1PDE10A
SCHEMBL186120 0.90 JAK1 (0.34) JAK1JAK3JAK2PDE10AMPL
SCHEMBL2804889 0.87 MAPK9 (0.36) JAK3JAK2BDKRB1BRAFHDAC3
SCHEMBL2805105 0.84 BDKRB1 (0.34) BDKRB1PDE10ABRAFHDAC3HDAC1
SCHEMBL2805743 0.84 BDKRB1 (0.34) BDKRB1PDE10ABRAFHDAC3HDAC1
SCHEMBL185363 0.82 FAAH (0.31) JAK1JAK3JAK2PTGS2MAP4K1
SCHEMBL186646 0.82 L3MBTL1 (0.35) BRAFLCK
SCHEMBL2806524 0.82 BRAF (0.38) BDKRB1PDE10ABRAFLCKKIT
SCHEMBL2805107 0.82 BDKRB1 (0.42) JAK1JAK3JAK2BDKRB1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068439-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA North aAmerica S.ar.I (US) 2010-03-18 US claimed
WO-2008095071-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA TECHNOLOGIES S.AR.L. (CH) 2008-08-07 WO claimed
EP-3260920-A1 TONER COMPOSITIONS WITH ANTIPLASTICIZERS Xerox Corporation (US) 2017-12-27 EP disclosed
US-9684257-B1 Toner compositions with antiplasticizers XEROX CORPORATION (US) 2017-06-20 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100068439-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA North aAmerica S.ar.I (US) 2010-03-18 US disclosed
WO-2008095071-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA TECHNOLOGIES S.AR.L. (CH) 2008-08-07 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-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 JAK1 936/4885JAK3 2297/4885JAK2 1802/4885

“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.