SCHEMBL7587577

SCHEMBL7587577

O=C(O)CN1CCN(CCNc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.57
ERBB2 P04626 8/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
ERBB4 Q15303 3/20 0.49
BRAF P15056 3/20 0.48
MAPT P10636 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL6991323 0.89 EGFR (0.61) EGFRERBB2HPGDHTTERBB4
SCHEMBL7575756 0.89 EGFR (0.55) EGFRERBB2HPGDHTTERBB4
SCHEMBL8317451 0.89 EGFR (0.69) EGFRERBB2HPGDHTTERBB4
SCHEMBL7581524 0.89 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL8312893 0.89 EGFR (0.64) EGFRERBB2HPGDHTTERBB4
SCHEMBL8315593 0.88 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL8319020 0.87 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL8315059 0.87 EGFR (0.60) EGFRERBB2HPGDHTTERBB4
SCHEMBL6990172 0.87 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL7577674 0.87 EGFR (0.56) EGFRERBB2HPGDHTTERBB4

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.