SCHEMBL12728591

SCHEMBL12728591

CNCc1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2OC)ncc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.72
▸ INSR P06213 14/20 0.72
▸ IGF1R P08069 14/20 0.72
▸ EGFR P00533 6/20 0.72
▸ CHEK1 O14757 1/20 0.64
▸ AURKA O14965 1/20 0.64
▸ NUAK1 O60285 1/20 0.64
▸ JAK2 O60674 1/20 0.64
▸ STK10 O94804 1/20 0.64
▸ PRKD3 O94806 1/20 0.64
▸ SLC34A2 O95436 1/20 0.64
▸ CHEK2 O96017 1/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ CD74 P04233 1/20 0.64
▸ ERBB2 P04626 1/20 0.64
▸ LCK P06239 1/20 0.64
▸ FYN P06241 1/20 0.64
▸ FES P07332 1/20 0.64
▸ CSF1R P07333 1/20 0.64
▸ YES1 P07947 1/20 0.64

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
SCHEMBL12728597 0.92 INSR (0.69) ALKINSRIGF1REGFRCHEK1
SCHEMBL12728598 0.92 PLK1 (0.64) ALKINSRIGF1REGFRPLK1
SCHEMBL12728730 0.91 INSR (0.59) ALKINSRIGF1REGFRCHEK1
SCHEMBL12728593 0.90 ALK (0.68) ALKINSRIGF1REGFRCHEK1
SCHEMBL26611568 0.90 EGFR (0.74) ALKINSRIGF1REGFRCHEK1
SCHEMBL12728589 0.90 INSR (0.71) ALKINSRIGF1REGFRCHEK1
SCHEMBL26612137 0.85 ALK (0.72) ALKINSRIGF1REGFRCHEK1
SCHEMBL12780998 0.85 EGFR (0.77) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916520 0.85 INSR (0.98) ALKINSRIGF1REGFRCHEK1
SCHEMBL26612055 0.84 EGFR (0.75) ALKINSRIGF1REGFRCHEK1

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 ALK 3384/4885INSR 3201/4885IGF1R 4627/4885

“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.

Send feedback