SCHEMBL2884786

SCHEMBL2884786

O=C(O)Cc1n[nH]c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NAPRT Q6XQN6 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CAMKK2 Q96RR4 1/20 0.38
PARP1 P09874 1/20 0.38
APP P05067 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
ADORA2A P29274 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10126637 0.84 ALDH1A1 (0.42) LMNACYP1A2SMN1; SMN2GSK3AGSK3B
SCHEMBL3099214 0.83 SMN1; SMN2 (0.63) LMNAMAPTSMN1; SMN2GSK3AGSK3B
SCHEMBL10126686 0.82 TBXAS1 (0.46) LMNACYP1A2SMN1; SMN2GSK3AGSK3B
SCHEMBL25205251 0.81 ADORA2A (0.41) LMNAKDM4EPOLBCYP1A2GSK3A
SCHEMBL10126665 0.78 DYRK1A (0.40) LMNASMN1; SMN2GSK3AGSK3BCAMKK2
SCHEMBL10126655 0.78 TBXAS1 (0.43) LMNAKDM4EPOLBCYP1A2MAPT
SCHEMBL31000702 0.78 CYP1A2 (0.44) LMNAKDM4ECYP1A2MAPTPARP1
SCHEMBL2693851 0.76 GPR84 (0.41) MAPTGSK3AGSK3BPARP1TSHR
SCHEMBL3101270 0.76 PRMT5 (0.51) PARP1TSHR
SCHEMBL2178131 0.76 AXL (0.42) KDM4EMAPTGSK3AGSK3BPARP1

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 21 patents — showing the first 20. 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
EP-2121638-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
EP-2222661-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 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
CN-103958466-B Nitrogen-containing heterocyclic compounds as CRTH2 antagonists KBP BIOSCIENCES Co.,Ltd. (CN) 2015-11-25 CN 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
US-8404856-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 US disclosed
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2222661-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-09-01 EP disclosed
US-7781454-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
EP-2121638-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2009067166-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2009-05-28 WO disclosed
US-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME LLC 2008-11-06 US disclosed
WO-2008076225-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 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 (4 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-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors RNGTT, RRM2B, RRM2 LMNA 3081/4885KDM4E 302/4885POLB 15/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 LMNA 3081/4885KDM4E 302/4885POLB 15/4885
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, NR3C2 LMNA 1370/4885KDM4E 4321/4885POLB 3748/4885
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2A, RRM2B LMNA 949/4885KDM4E 1113/4885POLB 1/4885

“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.