SCHEMBL12415915

SCHEMBL12415915

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.46
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL12415909 0.90 MET (0.48) METALDH1A1NPC1RPS6KA3
SCHEMBL182505 0.90 MET (0.42) METALDH1A1NPC1USP2ESR1
SCHEMBL12415910 0.88 MET (0.47) METALDH1A1NPC1RPS6KA3
SCHEMBL12415916 0.82 MET (0.45) MET
SCHEMBL182861 0.79 MET (0.44) METALDH1A1NPC1USP2RPS6KA3
SCHEMBL182726 0.77 MET (0.43) METALDH1A1NPC1USP2RPS6KA3
SCHEMBL9906859 0.72 MET (0.41) METALDH1A1RPS6KA3
SCHEMBL182804 0.71 MET (0.42) MET
SCHEMBL12415911 0.71 MET (0.47) MET
SCHEMBL562349 0.71 MET (0.55) METALDH1A1NPC1ESR1SMN1; SMN2

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 1/4885ALDH1A1 323/4885NPC1 2888/4885

“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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