SCHEMBL12780401

SCHEMBL12780401

CCNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCCCC4)CC3)nc2C)ncc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.47
▸ ALK Q9UM73 12/20 0.46
▸ INSR P06213 11/20 0.46
▸ IGF1R P08069 8/20 0.46
▸ AURKA O14965 1/20 0.42
▸ EGFR P00533 2/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ PTK2 Q05397 4/20 0.41
▸ PKMYT1 Q99640 1/20 0.40
▸ ZAP70 P43403 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
SCHEMBL12729784 0.93 INSR (0.52) ALKINSRIGF1REGFRPTK2
SCHEMBL12780190 0.88 EGFR (0.48) PLK1ALKINSRIGF1RAURKA
SCHEMBL12781937 0.85 ALK (0.46) PLK1ALKINSRIGF1RAURKA
SCHEMBL12780208 0.85 ALK (0.46) PLK1ALKINSRIGF1RAURKA
SCHEMBL12917664 0.84 ULK1 (0.53) PLK1ALKINSRIGF1RAURKA
SCHEMBL12728737 0.83 ALK (0.59) PLK1ALKINSRIGF1RAURKA
SCHEMBL12729786 0.81 ALK (0.57) PLK1ALKINSRIGF1RAURKA
SCHEMBL12780660 0.81 ALK (0.55) PLK1ALKINSRIGF1RAURKA
SCHEMBL10207506 0.79 ALK (0.60) PLK1ALKINSRIGF1RAURKA
SCHEMBL12729763 0.79 PTK2 (0.61) PLK1ALKINSRIGF1RAURKA

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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 — — 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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD PLK1 968/4885ALK 3384/4885INSR 3201/4885

“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.

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