SCHEMBL14979173

SCHEMBL14979173

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGDR2 Q9Y5Y4 10/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
DGAT1 O75907 1/20 0.43
DEGS1 O15121 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL14979208 0.88 L3MBTL1 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL14979170 0.87 NR1H4 (0.56) PTGDR2KMT2AMEN1NR1H4NPC1
SCHEMBL16085966 0.86 PTGDR2 (0.59) PTGDR2KMT2AMEN1NR1H4CA12
SCHEMBL14979228 0.81 KMT2A (0.47) CYP1A2CYP3A4CYP2C19PTGDR2KMT2A
SCHEMBL14979204 0.80 PTGDR2 (0.48) PTGDR2KMT2AMEN1NR1H4CA12
SCHEMBL14979245 0.80 PTGDR2 (0.51) PTGDR2
SCHEMBL16087764 0.79 NR1H4 (0.51) PTGDR2KMT2AMEN1NR1H4NPC1
SCHEMBL14979241 0.78 PTGDR2 (0.46) PTGDR2KMT2AMEN1NPC1RAB9A
SCHEMBL16153712 0.78 NR1H4 (0.52) PTGDR2KMT2AMEN1NR1H4NPC1
SCHEMBL14979210 0.78 L3MBTL1 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1

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 10 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-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
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 CYP1A2 1983/4885CYP3A4 3229/4885CYP2C9 3496/4885

“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.