SCHEMBL5994744

SCHEMBL5994744

Clc1cccc(Cl)c1CNc1cnc(Nc2ccc(CCCN3CCCC3)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.46
CDK1 P06493 3/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PLA2G1B P04054 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
WEE1 P30291 1/20 0.44
SRC P12931 3/20 0.42
ABL1 P00519 1/20 0.42
YES1 P07947 1/20 0.42
LTA4H P09960 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IGF1R P08069 2/20 0.40
MCHR1 Q99705 1/20 0.40
RET P07949 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5997902 0.82 LCK (0.61) KDRCDK1ALDH1A1WEE1SRC
SCHEMBL2498540 0.78 IGF1R (0.48) KDRCDK1L3MBTL1LTA4HIGF1R
SCHEMBL5994756 0.78 SRC (0.51) KDRALDH1A1KDM4EHTTSRC
SCHEMBL2495155 0.73 KCNJ1 (0.54) KDRCDK1LTA4HIGF1RHRH3
SCHEMBL14303235 0.71 BTK (0.49) KDRWEE1SRCABL1
SCHEMBL5998009 0.70 SLC6A3 (0.50) KDRCDK1ABL1LTA4HHRH3
SCHEMBL5998026 0.69 LCK (0.57) MAPTSRCABL1SMN1; SMN2MEN1
SCHEMBL14538314 0.67 KDR (0.42) KDRCDK1WEE1SRCABL1
SCHEMBL18917604 0.67 LTA4H (0.75) L3MBTL1LTA4HHRH3
SCHEMBL14899229 0.67 JAK2 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 US 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK KDR 348/4885CDK1 43/4885ALDH1A1 3321/4885

“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.