SCHEMBL10212459

SCHEMBL10212459

[C-]#[N+]C1=C(C)NC2=C(C(=O)OC2)C1c1ccc2[nH]nc(-c3ccc4c(c3)OCCO4)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ MAPKAPK2 P49137 2/20 0.43
▸ MAPKAPK3 Q16644 2/20 0.43
▸ MAPK6 Q16659 2/20 0.43
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ MET P08581 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.35
▸ ABCC9 O60706 2/20 0.34
▸ ABCC8 Q09428 2/20 0.34
▸ KCNJ11 Q14654 2/20 0.34
▸ KCNJ8 Q15842 2/20 0.34
▸ NOTCH1 P46531 1/20 0.34

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
SCHEMBL561795 0.86 MAPK1 (0.43) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL10212419 0.84 MET (0.45) METKDM4EALDH1A1ABCC9ABCC8
SCHEMBL10212485 0.84 PIM1 (0.40) MAP2K4METABCC9ABCC8KCNJ11
SCHEMBL10212464 0.83 MET (0.44) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10212460 0.81 MET (0.63) MAPK1MET
SCHEMBL10212422 0.81 MET (0.43) METKDM4EALDH1A1ABCC9ABCC8
SCHEMBL10212470 0.75 MET (0.41) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10212467 0.75 MET (0.45) METKDM4EALDH1A1MAPTHTT
SCHEMBL10212503 0.74 MET (0.43) METKDM4EALDH1A1MAPTABCC9
SCHEMBL10212489 0.74 MET (0.42) METABCC9ABCC8KCNJ11KCNJ8

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-8759341-B2 Bi- and tricyclic indazole-substituted 1,4-dihydropyridine derivatives and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-24 — — US disclosed
US-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 — — 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-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF MET, RET, ERBB2 MAP2K4 304/4885MAPK1 924/4885MAPKAPK2 586/4885

“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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