SCHEMBL1079536

SCHEMBL1079536

CCc1n[nH]c2ccc(C3C(C#N)=C(C)Nc4onc(C)c43)cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.45
RPS6KA3 P51812 1/20 0.45
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
MAPK1 P28482 2/20 0.38
DRD5 P21918 1/20 0.38
HTR2C P28335 1/20 0.38
HTR6 P50406 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1078003 0.89 MET (0.49) METRPS6KA3ALDH1A1MAPTHSD17B10
SCHEMBL11938838 0.82 MET (0.66) METALDH1A1KDM4EHPGD
SCHEMBL12722398 0.79 MET (0.67) METRPS6KA3ALDH1A1MAPTHSD17B10
SCHEMBL561808 0.78 MET (0.43) METRPS6KA3ALDH1A1MAPTHSD17B10
SCHEMBL1077503 0.77 MET (0.51) METRPS6KA3ALDH1A1MAPTKDM4E
SCHEMBL4993791 0.76 MET (0.59) METRPS6KA3ALDH1A1MAPTHSD17B10
SCHEMBL13685358 0.75 MET (0.58) METRPS6KA3ALDH1A1MAPTHSD17B10
SCHEMBL12722608 0.74 MET (0.57) METRPS6KA3ALDH1A1MAPTHSD17B10
Bay-474 SCHEMBL4994862 0.74 MET (0.66) METRPS6KA3ALDH1A1MAPTHSD17B10
SCHEMBL1583372 0.73 MET (0.57) METRPS6KA3ALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 US disclosed
US-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 US disclosed
EP-2451817-B1 INDAZOLYL-SUBSTITUTED DIHYDROISOXA-ZOLOPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-09-04 EP disclosed
EP-2451817-B1 INDAZOLYL-SUBSTITUTED DIHYDROISOXA-ZOLOPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-09-04 EP disclosed
US-20120190709-A1 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed
US-20120190709-A1 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed
EP-2451817-A1 INDAZOLYL-SUBSTITUTED DIHYDROISOXA-ZOLOPYRIDINES AND METHODS OF USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-05-16 EP disclosed
WO-2011003604-A1 INDAZOLYL-SUBSTITUTED DIHYDROISOXA-ZOLOPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 WO disclosed
WO-2011003604-A1 INDAZOLYL-SUBSTITUTED DIHYDROISOXA-ZOLOPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 WO 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-20120190709-A1 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BMX, MET, ABL1 MET 2/4885RPS6KA3 1483/4885ALDH1A1 2025/4885

“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.