SCHEMBL7778243

SCHEMBL7778243

OC[C@@H](Nc1ncnc2[nH]cnc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.56
AURKA O14965 2/20 0.54
RPS6KB1 P23443 2/20 0.54

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
SCHEMBL6016695 1.00 EGFR (0.56) EGFRAURKARPS6KB1
SCHEMBL22524283 1.00 EGFR (0.56) EGFRAURKARPS6KB1
SCHEMBL4572192 0.86 RPS6KB1 (0.53) EGFRAURKARPS6KB1
SCHEMBL4572186 0.86 RPS6KB1 (0.53) EGFRAURKARPS6KB1
SCHEMBL7780505 0.81 RPS6KB1 (0.48) AURKARPS6KB1
SCHEMBL7148659 0.81 EGFR (0.42) EGFRAURKARPS6KB1
SCHEMBL6016639 0.81 EGFR (0.42) EGFRAURKARPS6KB1
SCHEMBL6016698 0.80 LMNA (0.66) EGFRAURKARPS6KB1
SCHEMBL6016697 0.80 LMNA (0.66) EGFRAURKARPS6KB1
SCHEMBL5019518 0.79 LMNA (0.64) EGFRAURKARPS6KB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853616-B1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-09-19 EP claimed
US-20220162215-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ INC (US) 2022-05-26 US disclosed
WO-2020206363-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ,INC. (US) 2020-10-08 WO disclosed
EP-0853616-B1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-09-19 EP disclosed
US-6057326-A USED FOR TREATING EPIDERMAL HYPERPROLIFERATION, AS AN ANTI-METASTATIC OR ANTI-CANCER AGENT, TO CONTROL ANGIOGENESIS, INHIBIT DEVELOPMENT OF ATHEROMATOUS PLAQUE, TREATING ALZHEIMER'S DISEASE, OR AS AN IMMUNOMODULATING AGENT PHARMACIA & UPJOHN S.P.A (IT) 2000-05-02 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-20220162215-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, PINK1, NME4 EGFR 4203/4885AURKA 2173/4885RPS6KB1 955/4885

“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.