SCHEMBL9698769

SCHEMBL9698769

c1ccc(Cn2cnc(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.61
CYP11B2 P19099 5/20 0.54
CYP11B1 P15538 4/20 0.54
TNF P01375 1/20 0.54
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
FRK P42685 1/20 0.52
MAPK9 P45984 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
GSK3B P49841 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52
MAP4K5 Q9Y4K4 1/20 0.52
MDM4 O15151 2/20 0.51
TP53 P04637 2/20 0.51
MDM2 Q00987 2/20 0.51
IDO1 P14902 1/20 0.49
FLT1 P17948 1/20 0.48
KDR P35968 1/20 0.48
TEK Q02763 1/20 0.48

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
SCHEMBL29744194 0.92 PTGS2 (0.56) PTGS2CYP11B2CYP11B1TNFPRKD3
SCHEMBL30023075 0.89 MAPK14 (0.57) PTGS2CYP11B2CYP11B1TNFMAP4K4
Bromide SCHEMBL30023275 0.88 MAPK14 (0.56) PTGS2CYP11B2CYP11B1MAP4K4MAPK9
Hydrochloric Acid SCHEMBL30023189 0.88 MAPK14 (0.56) PTGS2CYP11B2CYP11B1MAP4K4MAPK9
SCHEMBL10993362 0.85 PTGS2 (0.64) PTGS2CYP11B2CYP11B1TP53LMNA
SCHEMBL8480092 0.81 PTGS2 (0.59) PTGS2PRKD3MAP4K4FRKMAPK9
SCHEMBL4805174 0.80 PTGS2 (0.63) PTGS2PRKD3MAP4K4FRKMAPK9
SCHEMBL11424185 0.79 PTGS2 (0.54) PTGS2PRKD3MAP4K4FRKMAPK9
SCHEMBL27934319 0.78 PTGS2 (0.55) PTGS2CYP11B2CYP11B1TP53LMNA
SCHEMBL27915572 0.78 PTGS2 (0.55) PTGS2CYP11B2CYP11B1TP53MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139574-B2 Tumor targeted drug combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-22 US disclosed
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US disclosed
WO-1992017470-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1992-10-15 WO disclosed
EP-0506437-A1 Imidazoles RHONE POULENC RORER LIMITED (GB) 1992-09-30 EP disclosed
US-5102900-A Antilipemic and anticholesterol agents RHONE-POULENC RORER S.A. (FR) 1992-04-07 US disclosed
WO-1992005148-A1 IMIDAZOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS RHONE-POULENC RORER LIMITED (GB) 1992-04-02 WO disclosed
EP-0424195-A1 Imidazoles RHONE-POULENC SANTE (FR) 1991-04-24 EP 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-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE TUBA4A, TUBGCP4, TUBB4A PTGS2 4150/4885CYP11B2 3908/4885CYP11B1 3233/4885

“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.