SCHEMBL14979247

SCHEMBL14979247

CCOC(=O)Cc1n[nH]c2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 4/20 0.55
NTRK1 P04629 1/20 0.45
KDM4E B2RXH2 2/20 0.43
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
HK1 P19367 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
PRNP P04156 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.39
SLC6A4 P31645 1/20 0.39
GALR2 O43603 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL14979217 0.90 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1NTRK1KDM4ELMNA
SCHEMBL119757 0.84 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL11753413 0.84 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1NTRK1KDM4EGABRA1
SCHEMBL1989361 0.81 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1KDM4ELMNAPKM
SCHEMBL30965223 0.80 TSHR (0.54) ALDH1A1NTRK1KDM4ELMNAMAPT
SCHEMBL14979246 0.80 TSHR (0.54) ALDH1A1NTRK1KDM4ELMNAMAPT
SCHEMBL960087 0.78 KDM4E (0.66) SMN1; SMN2ALDH1A1NTRK1KDM4ELMNA
SCHEMBL10271562 0.77 ITK (0.43) NTRK1
SCHEMBL13172609 0.76 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1
SCHEMBL9485336 0.75 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1NTRK1KDM4EGABRA1

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 8 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-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 SMN1; SMN2 1546/4885ALDH1A1 3981/4885NTRK1 3477/4885

“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.