SCHEMBL2496048

SCHEMBL2496048

O=C(Nc1cnc(Nc2ccc(S(=O)(=O)CCCN3CCCC3)cc2)nc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.57
LCK P06239 11/20 0.55
MAPK14 Q16539 5/20 0.54
KDR P35968 3/20 0.54
SRC P12931 2/20 0.54
TEK Q02763 2/20 0.54
ABL1 P00519 1/20 0.54
FYN P06241 1/20 0.54
CSF1R P07333 1/20 0.54
LYN P07948 1/20 0.54
MAPK9 P45984 1/20 0.54
BLK P51451 3/20 0.53
JAK3 P52333 1/20 0.52

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
SCHEMBL14286497 0.98 BTK (0.56) BTKLCKMAPK14KDRSRC
SCHEMBL2498488 0.92 LCK (0.67) BTKLCKMAPK14KDRSRC
SCHEMBL2495538 0.92 SRC (0.48) BTKLCKMAPK14KDRSRC
SCHEMBL2495540 0.92 BTK (0.61) BTKLCKMAPK14KDRSRC
SCHEMBL2496233 0.87 MEN1 (0.49) BTKLCKMAPK14KDRSRC
SCHEMBL5997334 0.87 KDR (0.48) LCKMAPK14KDRSRCTEK
SCHEMBL12212561 0.86 SRC (0.46) BTKLCKMAPK14KDRSRC
SCHEMBL5998573 0.84 OPRM1 (0.47) KDRSRCABL1
SCHEMBL2495207 0.82 BTK (0.64) BTKLCKMAPK14KDRSRC
SCHEMBL2498530 0.81 CSF1R (0.51) BTKLCKMAPK14KDRSRC

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-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 BTK 44/4885LCK 9/4885MAPK14 534/4885

“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.