SCHEMBL1624716

SCHEMBL1624716

COc1cc(Nc2nc(C)cc(C)c2N)ccc1C(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HSD17B10 Q99714 2/20 0.41
GAA P10253 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 2/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SYK P43405 3/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
FLT3 P36888 1/20 0.35

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
SCHEMBL1626036 0.88 MEN1 (0.41) TSHRHSD17B10KDM4EMAPTHPGD
SCHEMBL1625311 0.83 TSHR (0.42) TSHRHSD17B10GAAMAPTPKM
SCHEMBL1625314 0.83 TSHR (0.42) TSHRHSD17B10GAAMAPTPKM
SCHEMBL3956085 0.79 NR1H4 (0.46) TSHRHSD17B10GAAKDM4EMAPT
SCHEMBL1626732 0.70 MEN1 (0.43) TSHRHSD17B10GAAKDM4EMAPT
SCHEMBL1625732 0.70 MAPT (0.42) GAAKDM4EMAPTHPGDMEN1
SCHEMBL1625731 0.70 MAPT (0.42) GAAKDM4EMAPTHPGDMEN1
SCHEMBL1626349 0.70 MAPT (0.42) GAAMAPTHPGDMEN1KMT2A
SCHEMBL1626347 0.70 MAPT (0.42) GAAMAPTHPGDMEN1KMT2A
SCHEMBL3952447 0.70 MEN1 (0.44) HSD17B10KDM4EMAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928119-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2011-04-19 US disclosed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US disclosed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 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 (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-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 TSHR 4590/4885HSD17B10 851/4885GAA 3575/4885

“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.