SCHEMBL7586889

SCHEMBL7586889

C#Cc1cccc(Nc2ncnc3cnc(NC4CCCN(CC(=O)OC)CC4)nc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.49
CSNK2A1 P68400 4/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
ERBB2 P04626 5/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
BRAF P15056 2/20 0.43
ERBB3 P21860 1/20 0.42
ERBB4 Q15303 1/20 0.42
GAK O14976 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FBP1 P09467 1/20 0.41
MAPT P10636 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 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
SCHEMBL7574942 0.97 EGFR (0.51) EGFRCSNK2A1CSNK2A2CSNK2BERBB2
SCHEMBL7585627 0.94 CSNK2A1 (0.47) EGFRCSNK2A1CSNK2A2CSNK2BERBB2
SCHEMBL7576275 0.90 EGFR (0.52) EGFRERBB2HPGDHTTBRAF
SCHEMBL7576103 0.89 EGFR (0.53) EGFRERBB2HPGDHTTBRAF
SCHEMBL7588582 0.89 EGFR (0.54) EGFRCSNK2A1CSNK2A2CSNK2BERBB2
SCHEMBL7588633 0.86 EGFR (0.55) EGFRERBB2HPGDHTTBRAF
SCHEMBL7582363 0.86 EGFR (0.52) EGFRERBB2BRAFERBB3ERBB4
SCHEMBL7578264 0.86 EGFR (0.57) EGFRCSNK2A1CSNK2A2CSNK2BERBB2
SCHEMBL7575509 0.86 EGFR (0.56) EGFRERBB2HPGDHTTBRAF
SCHEMBL7583456 0.85 EGFR (0.48) EGFRCSNK2A1CSNK2A2CSNK2BERBB2

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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 EGFR 1041/4885CSNK2A1 525/4885CSNK2A2 865/4885

“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.