SCHEMBL7587481

SCHEMBL7587481

N[C@H]1CC[C@H](Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.77
ERBB2 P04626 3/20 0.77
HPGD P15428 1/20 0.77
HTT P42858 1/20 0.77
CSNK2A1 P68400 1/20 0.55
MAPT P10636 1/20 0.52
GRM1 Q13255 1/20 0.51
KCNH2 Q12809 1/20 0.51
CDK2 P24941 8/20 0.50
MAPKAPK2 P49137 8/20 0.50
CHEK2 O96017 1/20 0.49
CDK1 P06493 1/20 0.49
CSNK1D P48730 1/20 0.49
CDK5 Q00535 1/20 0.49
MAPKAPK3 Q16644 1/20 0.49
ROCK2 O75116 1/20 0.47
MAPK9 P45984 1/20 0.47
GSK3B P49841 1/20 0.47
MAP2K1 Q02750 1/20 0.47
MAPKAPK5 Q8IW41 1/20 0.47

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
SCHEMBL6992157 1.00 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314263 0.95 EGFR (0.84) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8482954 0.95 EGFR (0.70) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6992615 0.94 EGFR (0.71) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8483568 0.91 EGFR (0.75) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6990223 0.91 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8313702 0.91 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8313697 0.91 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8316770 0.90 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6995190 0.90 EGFR (0.80) EGFRERBB2HPGDHTTCSNK2A1

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 1041/4885ERBB2 2419/4885HPGD 173/4885

“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.