SCHEMBL182128

SCHEMBL182128

COC(=O)c1ccc(-c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.43
AURKA O14965 1/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MCHR1 Q99705 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
FGFR1 P11362 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PTPN11 Q06124 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
SCHEMBL185230 0.85 AURKA (0.47) AURKATLR2TLR1CA12CA1
SCHEMBL182127 0.84 RXRA (0.56) PTPN11
SCHEMBL16775445 0.84 HTT (0.54) HTTALDH1A1MEN1POLBMAPT
SCHEMBL13063663 0.83 LMNA (0.56) LMNAMAPTPTPN1CA12CA1
SCHEMBL2271347 0.83 LMNA (0.56) LMNAMAPTPTPN1CA12CA1
SCHEMBL385370 0.78 LMNA (0.60) LMNAALDH1A1MAPTCA12CA1
Ammonia Solution, Strong SCHEMBL27316369 0.77 LMNA (0.59) LMNAALDH1A1POLBMAPTCA12
SCHEMBL12670757 0.76
SCHEMBL2389365 0.76 RXRA (0.65) LMNACA12CA1CA2CA9
SCHEMBL28715125 0.76 ERN1 (0.44) LMNAAURKAALDH1A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
EP-2402323-A2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2012-01-04 EP disclosed
EP-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 EP disclosed
EP-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 EP disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
EP-1799207-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044502-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2006-04-27 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 (2 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-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL HTT 290/4885LMNA 1882/4885AURKA 3552/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL HTT 290/4885LMNA 1882/4885AURKA 3552/4885

“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.