SCHEMBL2494628

SCHEMBL2494628

O=C(Nc1cnc(Nc2ccc(CCCN3CCCC3)cc2)nc1)c1cc(Nc2ccc3ccccc3n2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.42
IGF1R P08069 2/20 0.42
MET P08581 2/20 0.42
EGFR P00533 1/20 0.42
INSR P06213 1/20 0.42
CDK2 P24941 1/20 0.42
TEK Q02763 1/20 0.42
ABL1 P00519 1/20 0.41
YES1 P07947 1/20 0.41
SRC P12931 1/20 0.41
GAA P10253 1/20 0.40
LCK P06239 4/20 0.40
MAPK14 Q16539 4/20 0.40
WEE1 P30291 1/20 0.40
CDK1 P06493 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BTK Q06187 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL14286493 0.84 RAB9A (0.51) KDREGFRLCKNPC1RAB9A
SCHEMBL14303235 0.79 BTK (0.49) KDRTEKABL1SRCLCK
SCHEMBL2495486 0.79 CSF1R (0.51) NPC1RAB9ABTK
SCHEMBL2495207 0.78 BTK (0.64) KDRTEKABL1SRCLCK
SCHEMBL5997902 0.78 LCK (0.61) KDREGFRABL1YES1SRC
SCHEMBL2494861 0.73 MET (0.46) METEGFRYES1SRCBTK
SCHEMBL5995422 0.73 ABL1 (0.53) KDRABL1SRCLCKMAPK14
SCHEMBL5995458 0.72 SRC (0.56) KDRABL1YES1SRCLCK
SCHEMBL5997659 0.71 SRC (0.48) KDRMETABL1SRCLCK
SCHEMBL14304882 0.70 LCK (0.55) KDRTEKABL1SRCLCK

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 KDR 1/4885IGF1R 348/4885MET 234/4885

“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.