SCHEMBL2182004

SCHEMBL2182004

CCN(CC)CCCNc1nnc2c(n1)c(=O)n(C)c(=O)n2Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
HIF1A Q16665 3/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL2179044 0.95 HIF1A (0.42) HIF1AALDH1A1MAPK1GAACYP1A2
SCHEMBL2183656 0.94 HIF1A (0.39) EGFRFGFR1SRCFGFR2FGFR4
SCHEMBL2183282 0.91 HIF1A (0.40) HIF1AALDH1A1MAPK1GAACYP1A2
SCHEMBL2184411 0.91 ALDH1A1 (0.41) HIF1AALDH1A1MAPK1GAACYP1A2
SCHEMBL2184025 0.88 PCSK9 (0.41) HIF1AALDH1A1MAPK1GAACYP1A2
SCHEMBL2183235 0.87 ALDH1A1 (0.42) HIF1AALDH1A1MAPK1GAACYP1A2
SCHEMBL2182059 0.87 ALDH1A1 (0.42) HIF1AALDH1A1MAPK1GAACYP1A2
SCHEMBL2180765 0.87 ALDH1A1 (0.42) HIF1AALDH1A1MAPK1GAACYP1A2
SCHEMBL2183762 0.87 ALDH1A1 (0.40) HIF1AALDH1A1MAPK1GAACYP1A2
SCHEMBL2184193 0.87 HIF1A (0.40) HIF1AALDH1A1MAPK1GAACYP1A2

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR EGFR 2495/4885FGFR1 882/4885SRC 1995/4885

“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.