SCHEMBL10165309

SCHEMBL10165309

O=C(O)c1cc(C(=O)NCc2ccc(F)c(F)c2)n2nc(-c3ccccc3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.48
MMP13 P45452 2/20 0.45
ALDH1A1 P00352 3/20 0.44
PTGER4 P35408 1/20 0.44
HSD17B10 Q99714 3/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CACNA1G O43497 2/20 0.42
CACNA1H O95180 2/20 0.42
CACNA1I Q9P0X4 2/20 0.42
PPARG P37231 2/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 3/20 0.41
P2RX7 Q99572 1/20 0.41
HPGD P15428 1/20 0.40
S1PR3 Q99500 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
SCHEMBL10166552 0.92 PHGDH (0.47) PHGDHMMP13ALDH1A1PTGER4HSD17B10
SCHEMBL10165315 0.92 MMP13 (0.47) PHGDHMMP13ALDH1A1PTGER4HSD17B10
SCHEMBL10165300 0.91 PHGDH (0.46) PHGDHMMP13ALDH1A1PTGER4HSD17B10
SCHEMBL10165311 0.87 MYC (0.46) MMP13ALDH1A1PTGER4HSD17B10CACNA1G
SCHEMBL10166269 0.81 MYC (0.49) MMP13ALDH1A1HSD17B10LMNACACNA1G
SCHEMBL10167297 0.80 MMP13 (0.60) PHGDHMMP13PPARGKDM4E
SCHEMBL10165317 0.79 MYC (0.47) MMP13ALDH1A1HSD17B10CACNA1GCACNA1H
SCHEMBL10166558 0.79 MYC (0.47) ALDH1A1HSD17B10LMNACACNA1GCACNA1H
SCHEMBL10165301 0.78 MYC (0.50) ALDH1A1HSD17B10LMNACACNA1GCACNA1H
SCHEMBL10167300 0.78 MMP13 (0.63) PHGDHMMP13CACNA1GCACNA1HCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 PHGDH 2467/4885MMP13 1/4885ALDH1A1 1806/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PHGDH 2467/4885MMP13 1/4885ALDH1A1 1806/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PHGDH 2467/4885MMP13 1/4885ALDH1A1 1806/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PHGDH 2467/4885MMP13 1/4885ALDH1A1 1806/4885

“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.