SCHEMBL5990469

SCHEMBL5990469

CN1CCN(Cc2ccc(C(=O)Nc3ccc(N(c4cccnc4)c4ncccn4)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.57
EPAS1 Q99814 7/20 0.57
KIT P10721 6/20 0.57
FLT3 P36888 2/20 0.56
ABL1 P00519 6/20 0.55
BCR P11274 6/20 0.55
PDGFRA P16234 4/20 0.55
PDGFRB P09619 3/20 0.55
SRC P12931 3/20 0.55
SYK P43405 2/20 0.55
BTK Q06187 1/20 0.54
EGFR P00533 2/20 0.54
ERBB2 P04626 2/20 0.54
LCK P06239 2/20 0.54
FYN P06241 2/20 0.54
CSF1R P07333 2/20 0.54
LYN P07948 2/20 0.54
FGR P09769 2/20 0.54
BRAF P15056 2/20 0.54
NQO2 P16083 2/20 0.54

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
SCHEMBL2448819 0.90 ABL1 (0.61) KITFLT3ABL1BCRPDGFRA
SCHEMBL28684962 0.82 SMN1; SMN2 (0.71) HIF1AEPAS1KITFLT3ABL1
SCHEMBL15477705 0.79 ABL1 (0.60) HIF1AEPAS1KITFLT3ABL1
SCHEMBL4902292 0.77 ABL1 (0.86) KITFLT3ABL1BCRPDGFRA
SCHEMBL14845834 0.77 BTK (0.67) HIF1AEPAS1BTKMAPK14LMNA
SCHEMBL5951546 0.76 ABL1 (0.75) KITFLT3ABL1BCRPDGFRA
SCHEMBL28300862 0.75 BTK (0.68) HIF1AEPAS1BTKLMNAMAPT
SCHEMBL8191704 0.75 ABL1 (0.72) KITFLT3ABL1BCRPDGFRA
SCHEMBL878663 0.75 BTK (0.64) HIF1AEPAS1BTKMAPK14LMNA
SCHEMBL413398 0.74 MAPK14 (0.53) HIF1AEPAS1KITFLT3ABL1

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-20060106026-A1 4-(4-methylpiperazin-1-ylmethyl)-n-[4-pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-benzamide for treating anaplastic thyroid cancer OHTSURU AKIRA 2006-05-18 US disclosed
CN-1671389-A 4- (4-methylpiperazin-1-ylmethyl) -N- [ 4-methyl-3-yl) pyrimidin-2-ylamino) phenyl ] -benzamide for the treatment of anaplastic thyroid cancer NOVARTIS AG (CH) 2005-09-21 CN disclosed
WO-2004009088-A1 4-(4-METHYLPIPERAZIN-1-YLMETHYL)-N-[4-PYRIDIN-3-YL)PYRIMIDIN-2-YLAMINO)PHENYL]-BENZAMIDE FOR TREATING ANAPLASTIC THYROID CANCER NOVARTIS AG (CH) 2004-01-29 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-20060106026-A1 4-(4-methylpiperazin-1-ylmethyl)-n-[4-pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-benzamide for treating anaplastic thyroid cancer TPO, THRA, TSHR HIF1A 3328/4885EPAS1 3720/4885KIT 529/4885

“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.