Sugi Predict

Sugi Predict / Compounds / SCHEMBL245955

SCHEMBL245955

SCHEMBL245955

O=c1[nH]cc(I)c2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 4/20 0.47
▸ KDM4A O75164 1/20 0.47
▸ KDM4B O94953 1/20 0.47
▸ KDM5C P41229 1/20 0.47
▸ KDM5B Q9UGL1 1/20 0.47
▸ KDM3A Q9Y4C1 1/20 0.47
▸ PIM1 P11309 2/20 0.46
▸ HASPIN Q8TF76 1/20 0.46
▸ PARP1 P09874 5/20 0.45
▸ GSK3B P49841 4/20 0.40
▸ DYRK1A Q13627 3/20 0.40
▸ NFATC1 O95644 1/20 0.40
▸ DPYD Q12882 1/20 0.39
▸ PKM P14618 1/20 0.35
▸ AURKA O14965 3/20 0.35
▸ AURKB Q96GD4 3/20 0.35
▸ TTK P33981 2/20 0.35
▸ INCENP Q9NQS7 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL245345 0.93 KDM4C (0.47) KDM4CKDM4AKDM4BKDM5CKDM5B
Trifluoroacetic Acid SCHEMBL17727786 0.80 PARP1 (0.39) KDM4CKDM4AKDM4BKDM5CKDM5B
SCHEMBL21917249 0.78 KDM4A (0.47) KDM4CKDM4AKDM4BKDM5CKDM5B
SCHEMBL15634812 0.78 GSK3B (0.48) KDM4CKDM4AKDM4BKDM5CKDM5B
Lophocladine A SCHEMBL24941905 0.77 PARP1 (0.66) KDM4CKDM4AKDM4BKDM5CKDM5B
SCHEMBL245511 0.75 DYRK1A (0.61) PIM1HASPINGSK3BDYRK1ANFATC1
SCHEMBL30067091 0.75 HASPIN (0.59) PIM1HASPINGSK3BDYRK1ANFATC1
SCHEMBL2050489 0.75 HASPIN (0.59) PIM1HASPINGSK3BDYRK1ANFATC1
SCHEMBL17163962 0.74 KDM4C (0.47) KDM4CKDM4AKDM4BKDM5CKDM5B
SCHEMBL22305924 0.74 KDM5C (0.47) KDM4CKDM4AKDM4BKDM5CKDM5B

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 — — US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 — — US disclosed
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 — — EP disclosed
WO-2020132045-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS DISARM THERAPEUTICS, INC. (US) 2020-06-25 — — WO disclosed
WO-2020081923-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. (US) 2020-04-23 — — WO disclosed
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 — — EP disclosed
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 — — EP disclosed
CN-110563722-A pyridine or pyridazine ring compound and application thereof 上海青煜医药科技有限公司 2019-12-13 — — CN disclosed
EP-2935253-B1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2018-08-01 — — EP disclosed
US-9861637-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-01-09 — — US disclosed
EP-2746281-A2 7-azaindole derivatives Merck Patent GmbH (DE) 2014-06-25 — — EP disclosed
EP-2746281-A2 7-azaindole derivatives Merck Patent GmbH (DE) 2014-06-25 — — EP disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 — — US disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 — — US disclosed
EP-2585461-A1 2,4- DIARYL - SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER Merck Patent GmbH (DE) 2013-05-01 — — EP disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 — — WO disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 — — 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-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 KDM4C 3835/4885KDM4A 2905/4885KDM4B 3770/4885
US-20130310391-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 KDM4C 1048/4885KDM4A 877/4885KDM4B 856/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP KDM4C 4312/4885KDM4A 3587/4885KDM4B 4086/4885
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 KDM4C 2264/4885KDM4A 1804/4885KDM4B 1867/4885

“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.