SCHEMBL16901728

SCHEMBL16901728

Cc1cc(CN2CCCC2)cc2nc(NC(=O)c3ccccc3)n(C3CCCCNC3)c12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.52
▸ MET P08581 1/20 0.51
▸ SPR P35270 1/20 0.45
▸ MAP3K7 O43318 5/20 0.44
▸ IRAK1 P51617 5/20 0.44
▸ IRAK4 Q9NWZ3 5/20 0.44
▸ EGFR P00533 4/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL19190172 1.00 ALK (0.52) ALKMETSPRMAP3K7IRAK1
Hydrochloric Acid SCHEMBL16895496 0.99 ALK (0.51) ALKMETSPRMAP3K7IRAK1
Hydrochloric Acid SCHEMBL16895498 0.99 ALK (0.51) ALKMETSPRMAP3K7IRAK1
SCHEMBL16901731 0.91 EGFR (0.45) ALKMETSPRMAP3K7IRAK1
SCHEMBL19190201 0.91 EGFR (0.45) ALKMETSPRMAP3K7IRAK1
Hydrochloric Acid SCHEMBL19178862 0.90 EGFR (0.44) ALKMETSPRMAP3K7IRAK1
Hydrochloric Acid SCHEMBL16895932 0.90 EGFR (0.44) ALKMETSPRMAP3K7IRAK1
SCHEMBL16895988 0.83 EGFR (0.63) ALKMETEGFRCYP3A4CYP2C9
SCHEMBL16895609 0.83 EGFR (0.63) ALKMETEGFRCYP3A4CYP2C9
SCHEMBL16896127 0.82 ALK (0.50) ALKMETSPRMAP3K7IRAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 — — US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 — — 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-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity EGFR, ERBB2, ERBB3 ALK 257/4885MET 8/4885SPR 4488/4885

“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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