SCHEMBL5160686

SCHEMBL5160686

Nc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.64
TLR8 Q9NR97 2/20 0.54
RET P07949 1/20 0.53
P2RX1 P51575 2/20 0.52
P2RX4 Q99571 1/20 0.52
P2RX7 Q99572 1/20 0.52
TMPRSS4 Q9NRS4 1/20 0.52
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
LMNA P02545 3/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
APEX1 P27695 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LCK P06239 1/20 0.50

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
SCHEMBL30868543 0.91 P2RX1 (0.61) PTGS1TLR8P2RX1P2RX4P2RX7
SCHEMBL678096 0.89 PTGS1 (0.64) PTGS1TLR8P2RX1P2RX4P2RX7
SCHEMBL5437515 0.87 TLR8 (0.55) PTGS1TLR8RETP2RX1P2RX4
SCHEMBL17664550 0.86 TLR8 (0.54) PTGS1TLR8RETP2RX1P2RX4
SCHEMBL17660212 0.85 TLR8 (0.54) TLR8RETP2RX1P2RX4P2RX7
SCHEMBL29286666 0.84 TMPRSS4 (0.59) PTGS1TMPRSS4MEN1KMT2ALCK
SCHEMBL6816710 0.82 LMNA (0.57) PTGS1P2RX1LMNAMAPTMEN1
SCHEMBL6792746 0.80 PTGS1 (0.57) PTGS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL14410670 0.80 RXFP1 (0.57) PTGS1TLR8RETP2RX1P2RX4
SCHEMBL18146857 0.79 LMNA (0.61) P2RX1JAK2TYK2LMNAMAPT

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
CN-101952287-B Protein kinase inhibitors and use thereof MERCK SERONO SA 2013-11-27 CN disclosed
US-20070225347-A1 Imidazole Derivatives MERCK PATENT GMBH (DE) 2007-09-27 US disclosed
US-20070225347-A1 Imidazole Derivatives MERCK PATENT GMBH (DE) 2007-09-27 US disclosed
US-20070225347-A1 Imidazole Derivatives MERCK PATENT GMBH (DE) 2007-09-27 US disclosed
CN-1938282-A Imidazole derivatives as tyrosine kinase inhibitors MERCK PATENT GMBH (DE) 2007-03-28 CN disclosed
EP-1761503-A2 IMIDAZOL DERIVATIVES AS TYROSINE KINASE INHIBITORS MERCK PATENT GmbH (DE) 2007-03-14 EP disclosed
WO-2005097755-A2 IMIDAZOL DERIVATIVES AS TYROSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-10-20 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 (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-20070225347-A1 Imidazole Derivatives TIE1, FLT1, FER PTGS1 1533/4885TLR8 1834/4885RET 5/4885

“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.