SCHEMBL2492783

SCHEMBL2492783

O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc2)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.53
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
JAK2 O60674 2/20 0.51
SRC P12931 2/20 0.51
BRD4 O60885 3/20 0.50
JAK1 P23458 3/20 0.50
HDAC1 Q13547 3/20 0.50
JAK3 P52333 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
RET P07949 1/20 0.50
TYK2 P29597 1/20 0.50
FLT3 P36888 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPK14 Q16539 6/20 0.49
LCK P06239 5/20 0.49
KDR P35968 5/20 0.49
EPHX2 P34913 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL265393 0.92 BTK (0.64) BTKHTR2AHTR2CJAK2SRC
SCHEMBL2495224 0.89 LCK (0.57) BTKHTR2AHTR2CJAK2SRC
SCHEMBL2500715 0.87 BTK (0.68) BTKHTR2AHTR2CJAK2SRC
SCHEMBL12190170 0.87 CSF1R (0.54) BTKHTR2AHTR2CJAK2SRC
SCHEMBL5997190 0.85 SRC (0.56) JAK2SRCBRD4JAK1HDAC1
SCHEMBL2495300 0.83 FGFR1 (0.47) BTKJAK2SRCBRD4JAK1
SCHEMBL2493709 0.83 LCK (0.70) BTKJAK2SRCJAK3MAPK14
SCHEMBL2499022 0.83 BTK (0.64) BTKJAK2SRCJAK3MAPK14
SCHEMBL2497853 0.82 BTK (0.51) BTKSRCRXFP1MAPK14LCK
SCHEMBL2493721 0.82 BRD4 (0.48) JAK2SRCBRD4JAK1HDAC1

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 44/4885HTR2A 1058/4885HTR2C 699/4885

“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.