SCHEMBL14979252

SCHEMBL14979252

CCOC(=O)Cc1nn(Cc2ccc(NC(=O)c3cnn(C)c3)cc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
ROCK1 Q13464 1/20 0.45
PTGDR2 Q9Y5Y4 7/20 0.45
RECQL P46063 1/20 0.44
TP53 P04637 1/20 0.44
F2RL3 Q96RI0 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL14979214 0.88 PTGDR2 (0.54) ROCK1PTGDR2HDAC3HDAC1HDAC2
SCHEMBL14979186 0.86 PTGDR2 (0.54) ALDH1A1PTGDR2RECQLF2RL3HDAC3
SCHEMBL14979189 0.85 ALDH1A1 (0.51) ALDH1A1PTGDR2RECQLTP53F2RL3
SCHEMBL16085966 0.83 PTGDR2 (0.59) ALDH1A1PTGDR2HDAC3HDAC1HDAC2
SCHEMBL16085905 0.83 ALDH1A1 (0.50) ALDH1A1PTGDR2RECQLF2RL3HDAC3
SCHEMBL14979229 0.82 RAB9A (0.48) ALDH1A1TP53SMN1; SMN2MAPTLMNA
SCHEMBL16104144 0.81 ALDH1A1 (0.61) ALDH1A1PTGDR2RECQLTP53F2RL3
SCHEMBL14979245 0.81 PTGDR2 (0.51) ALDH1A1PTGDR2TP53HDAC3HDAC1
SCHEMBL16085823 0.79 ALDH1A1 (0.49) ALDH1A1RECQLF2RL3HDAC3HDAC1
SCHEMBL14979187 0.77 ALDH1A1 (0.64) ALDH1A1RECQLF2RL3HDAC3HDAC1

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 ALDH1A1 3981/4885ROCK1 1305/4885PTGDR2 125/4885

“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.