SCHEMBL3769825

SCHEMBL3769825

COCCN(CC=CC(=O)Nc1cc2c(N[C@H](C)c3ccccc3)nc(OC)nc2cc1C1CC1)CCOC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.39
▸ SOS1 Q07889 17/20 0.39
▸ KRAS P01116 1/20 0.36
▸ ERBB2 P04626 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35

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
SCHEMBL3769823 1.00 EGFR (0.39) EGFRSOS1KRASERBB2JAK3
SCHEMBL3536485 0.96 EGFR (0.39) EGFRSOS1KRASERBB2JAK3
SCHEMBL3769044 0.96 EGFR (0.39) EGFRSOS1KRASERBB2JAK3
SCHEMBL3541445 0.94 SOS1 (0.40) EGFRSOS1KRASERBB2
SCHEMBL3762497 0.94 SOS1 (0.40) EGFRSOS1KRASERBB2
SCHEMBL18010596 0.85 EGFR (0.41) EGFRSOS1
SCHEMBL252518 0.82 EGFR (0.44) EGFRSOS1ERBB2JAK3ERBB4
SCHEMBL252517 0.82 EGFR (0.44) EGFRSOS1ERBB2JAK3ERBB4
SCHEMBL16225141 0.81 EGFR (0.43) EGFRSOS1ERBB2JAK3ERBB4
SCHEMBL16225139 0.81 EGFR (0.43) EGFRSOS1ERBB2JAK3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8919342-B2 Inhaler BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-30 — — US disclosed
US-20100313886-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 — — US disclosed
US-20080051392-A1 PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES KONETZKI INGO 2008-02-28 — — 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-20080051392-A1 PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM2, CFTR, TPSB2 EGFR 2881/4885SOS1 4585/4885KRAS 3627/4885

“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.

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