SCHEMBL6314437

SCHEMBL6314437

Nc1ncc(-c2ccc(OCCCN3CCCCC3)cc2)c(Nc2cnc3cc(C(F)(F)F)ccc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
INSR P06213 1/20 0.46
IGF1R P08069 1/20 0.46
MET P08581 1/20 0.46
CDK2 P24941 1/20 0.46
KDR P35968 1/20 0.46
TEK Q02763 1/20 0.46
TLR9 Q9NR96 1/20 0.46
HRH3 Q9Y5N1 7/20 0.44
KCNH2 Q12809 2/20 0.44
ADORA2A P29274 3/20 0.44
CACNA1B Q00975 3/20 0.43
CACNA1H O95180 1/20 0.43
ADORA1 P30542 1/20 0.42
BACE1 P56817 1/20 0.42
SLC2A1 P11166 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
SCHEMBL6321509 0.87 IGF1R (0.60) EGFRINSRIGF1RMETCDK2
SCHEMBL6313606 0.86 EGFR (0.46) EGFRINSRIGF1RMETCDK2
SCHEMBL6315312 0.82 IGF1R (0.54) EGFRINSRIGF1RMETCDK2
SCHEMBL6644464 0.76 HRH3 (0.51) TLR9HRH3KCNH2ADORA2ACACNA1B
SCHEMBL6671954 0.73 IGF1R (0.67) EGFRINSRIGF1RMETCDK2
SCHEMBL4113293 0.70 ACP1 (0.51) KCNH2ADORA2AADORA1
SCHEMBL6312312 0.70 IGF1R (0.49) EGFRINSRIGF1RMETCDK2
SCHEMBL31592194 0.70 IGF1R (0.64) EGFRINSRIGF1RMETCDK2
SCHEMBL6313336 0.69 ALPL (0.43) EGFR
SCHEMBL4101832 0.69 ADORA2A (0.50) KCNH2ADORA2AADORA1

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 2 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
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT EGFR 1302/4885INSR 2763/4885IGF1R 4054/4885

“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.