SCHEMBL10212467

SCHEMBL10212467

[C-]#[N+]C1=C(c2ccc(F)cc2)NC2=C(C(=O)OC2)C1c1ccc2[nH]nc(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.45
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL10212481 0.93 TUBB4A (0.43) METKDM4EALDH1A1LMNAGAA
SCHEMBL10212489 0.92 MET (0.42) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10212470 0.92 MET (0.41) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL10212475 0.90 MET (0.39) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10212482 0.89 MET (0.43) METKDM4EALDH1A1LMNAGAA
SCHEMBL10212419 0.86 MET (0.45) METKDM4EALDH1A1ABCC9KCNJ11
SCHEMBL562277 0.85 MET (0.41) METKDM4EALDH1A1LMNAGAA
SCHEMBL10212503 0.82 MET (0.43) METKDM4EALDH1A1MAPTABCC9
SCHEMBL10212454 0.81 MET (0.39) METKDM4EALDH1A1LMNAGAA
SCHEMBL10212458 0.79 MET (0.41) METKDM4EALDH1A1LMNAGAA

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 MET 1/4885KDM4E 1206/4885ALDH1A1 916/4885

“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.