SCHEMBL5951546

SCHEMBL5951546

CN1CCN(Cc2ccc(C(=O)Nc3cccc(N(C)c4nccc(-c5cccnc5)n4)c3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.75
BCR P11274 13/20 0.75
PDGFRA P16234 4/20 0.75
PDGFRB P09619 3/20 0.75
SRC P12931 3/20 0.75
SYK P43405 2/20 0.75
KIT P10721 10/20 0.65
ABL2 P42684 5/20 0.65
EGFR P00533 3/20 0.65
ERBB2 P04626 2/20 0.65
LCK P06239 2/20 0.65
FYN P06241 2/20 0.65
CSF1R P07333 2/20 0.65
LYN P07948 2/20 0.65
FGR P09769 2/20 0.65
BRAF P15056 2/20 0.65
NQO2 P16083 2/20 0.65
EPHA8 P29322 2/20 0.65
FRK P42685 2/20 0.65
BLK P51451 2/20 0.65

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
SCHEMBL8191704 0.88 ABL1 (0.72) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL9485 0.85 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL3866664 0.83 ABL1 (0.94) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL8261009 0.83 ABL1 (0.94) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL23258781 0.82 ABL1 (0.71) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL2317952 0.82 ABL1 (0.70) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL10075315 0.82 ABL1 (0.70) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL27810491 0.82 ABL1 (0.78) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL10109122 0.81 ABL1 (0.72) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL4902292 0.81 ABL1 (0.86) ABL1BCRPDGFRAPDGFRBSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116381-A1 4-4(methylpiperazin-1-ylmethyl)-n-[4-methyl-3-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-ben-zamide for treating mutated-ret kinase associated diseases FAGIN JAMES A 2006-06-01 US disclosed
US-20060111363-A1 Treatment of uveal melanoma ALL-ERICSSON CHARLOTTA 2006-05-25 US disclosed
US-6894051-B1 Crystal modification of a N-phenyl-2-pyrimidineamine derivative, processes for its manufacture and its use NOVARTIS AG (CH) 2005-05-17 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 (2 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-20060111363-A1 Treatment of uveal melanoma MITF, ALDH1A2, UACA ABL1 2500/4885BCR 4868/4885PDGFRA 2945/4885
US-20060116381-A1 4-4(methylpiperazin-1-ylmethyl)-n-[4-methyl-3-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-ben-zamide for treating mutated-ret kinase associated diseases RET, MECP2, GRK4 ABL1 130/4885BCR 575/4885PDGFRA 503/4885

“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.