SCHEMBL182285

SCHEMBL182285

COC(=O)c1cccc(-n2cnc(-c3ccc(C(C)C)cc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
MAP4K4 O95819 1/20 0.43
GAA P10253 1/20 0.42
CD74 P04233 1/20 0.42
MIF P14174 1/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRM5 P41594 1/20 0.41
FGFR1 P11362 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
CNR1 P21554 1/20 0.40
KDM5B Q9UGL1 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
SCHEMBL181771 0.87 MRGPRX4 (0.45) MAP4K4GAAALDH1A1L3MBTL1MAPT
SCHEMBL17125377 0.80 TP53 (0.50) TP53GAACD74MIFHPGD
SCHEMBL5868998 0.78 MAPK13 (0.57) TP53GAAHPGDALDH1A1L3MBTL1
SCHEMBL31211664 0.76 KDM4E (0.60) HPGDALDH1A1L3MBTL1MAPTGABRG2
SCHEMBL182301 0.76 NPC1 (0.47) MAP4K4KDM5B
SCHEMBL28643803 0.75 MAP3K5 (0.53) TP53GAAHPGDALDH1A1L3MBTL1
SCHEMBL16775435 0.74 CA12 (0.43) TP53GRM5GABRG2GABRB3GABRA5
SCHEMBL28811099 0.73 MAP4K4 (0.48) MAP4K4GAAHPGDALDH1A1L3MBTL1
SCHEMBL27959306 0.73 KDM4E (0.48) MAP4K4GAAHPGDALDH1A1L3MBTL1
SCHEMBL5868847 0.73 TP53 (0.67) TP53GAAHPGDALDH1A1L3MBTL1

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 6 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

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 TP53 17/4885MAP4K4 2671/4885GAA 931/4885
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 TP53 17/4885MAP4K4 2671/4885GAA 931/4885

“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.