SCHEMBL6311735

SCHEMBL6311735

Nc1nc(Nc2ccc(OC(F)(F)F)cc2)ncc1-c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.50
IGF1R P08069 2/20 0.49
KCNH2 Q12809 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
CHRNA7 P36544 3/20 0.44
ALPL P05186 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
PLK1 P53350 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
SYK P43405 2/20 0.42
DHFR P00374 1/20 0.41

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
SCHEMBL6318975 0.91 IGF1R (0.62) CTSCIGF1RALPLGSK3BSYK
SCHEMBL6318900 0.86 IGF1R (0.58) IGF1RMEN1NPC1MAPTRAB9A
SCHEMBL6312806 0.83 IGF1R (0.47) IGF1RDHFR
SCHEMBL6312155 0.81 RAB9A (0.46) IGF1RMEN1NPC1MAPTRAB9A
SCHEMBL6312590 0.81 IGF1R (0.58) IGF1RALPLSMN1; SMN2GSK3BDHFR
SCHEMBL6312020 0.79 SYK (0.47) IGF1RMEN1NPC1MAPTRAB9A
SCHEMBL6314422 0.79 IGF1R (0.60) IGF1RALPLMEN1KMT2ASYK
SCHEMBL1701968 0.78 IGF1R (0.60) CTSCIGF1RKCNH2SCN5ASCN9A
SCHEMBL6642105 0.78 DHFR (0.56) IGF1RDHFR
SCHEMBL6312056 0.77 IGF1R (0.60) IGF1RMEN1KMT2AIRAK4PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT CTSC 721/4885IGF1R 4054/4885KCNH2 3637/4885

“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.