SCHEMBL12415916

SCHEMBL12415916

[C-]#[N+]C1=C(C)N2CCOCC2=C(C#N)C1c1ccc2[nH]nc(-c3ccc(F)nc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.45
▸ LRRK2 Q5S007 8/20 0.34
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 1/20 0.32

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
SCHEMBL182804 0.91 MET (0.42) METLRRK2ATRATRIP
SCHEMBL12415909 0.85 MET (0.48) METLRRK2
SCHEMBL12415910 0.84 MET (0.47) METLRRK2
SCHEMBL12415915 0.82 MET (0.46) MET
SCHEMBL182861 0.75 MET (0.44) METLRRK2
SCHEMBL182726 0.73 MET (0.43) METLRRK2
SCHEMBL182505 0.72 MET (0.42) MET
SCHEMBL12415911 0.72 MET (0.47) MET
SCHEMBL9906863 0.67 MET (0.46) MET
SCHEMBL562349 0.67 MET (0.55) METLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642595-B2 Annellated 4-(indazolyl)-1,4-dihydropyridine derivatives and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 — — US disclosed
US-20110172221-A1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-14 — — 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-20110172221-A1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF MET, ERBB4, RET MET 1/4885LRRK2 538/4885ATR 2884/4885

“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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