SCHEMBL14979170

SCHEMBL14979170

O=C(O)Cn1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.56
PTGDR2 Q9Y5Y4 12/20 0.54
TSHR P16473 1/20 0.47
DEGS1 O15121 1/20 0.47
CPT1A P50416 1/20 0.47
CPT1B Q92523 1/20 0.47
ROCK1 Q13464 1/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL16153712 0.90 NR1H4 (0.52) NR1H4PTGDR2DEGS1KMT2ANPC1
SCHEMBL14979173 0.87 CYP1A2 (0.51) NR1H4PTGDR2DEGS1KMT2ANPC1
SCHEMBL14979209 0.86 PTGDR2 (0.50) PTGDR2TSHRCPT1ACPT1BROCK1
SCHEMBL16153722 0.86 PTGDR2 (0.51) PTGDR2TSHRCPT1ACPT1BROCK1
SCHEMBL14979185 0.86 PTGDR2 (0.51) PTGDR2TSHRCPT1ACPT1BROCK1
SCHEMBL14979182 0.84 PTGDR2 (0.69) NR1H4PTGDR2KMT2ANPC1RAB9A
SCHEMBL16087764 0.82 NR1H4 (0.51) NR1H4PTGDR2DEGS1KMT2ANPC1
SCHEMBL14979188 0.78 PTGDR2 (0.58) NR1H4PTGDR2DEGS1KMT2ANPC1
SCHEMBL16104138 0.77 PTGDR2 (0.63) NR1H4PTGDR2
SCHEMBL14979234 0.77 PTGDR2 (0.60) NR1H4PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
EP-2781508-B1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2018-12-12 EP disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
EP-2781508-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP Biosciences Co., Ltd. (CN) 2014-09-24 EP disclosed
EP-2781508-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP Biosciences Co., Ltd. (CN) 2014-09-24 EP disclosed
WO-2013071880-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS 山东亨利医药科技有限责任公司 (CN) 2013-05-23 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-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, NR3C2 NR1H4 32/4885PTGDR2 125/4885TSHR 663/4885

“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.