SCHEMBL946897

SCHEMBL946897

NC(=O)c1cnn2cccnc12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.68
SMPD3 Q9NY59 1/20 0.56
HTT P42858 1/20 0.55
HSD11B1 P28845 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
AXL P30530 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
Formic Acid SCHEMBL29488713 0.94 IRAK4 (0.62) IRAK4SMPD3HTTHSD11B1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL20483266 0.90 IRAK4 (0.58) IRAK4SMPD3HTTHSD11B1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL29487606 0.90 IRAK4 (0.58) IRAK4SMPD3HTTHSD11B1SMN1; SMN2
SCHEMBL309036 0.86 IRAK4 (0.58) IRAK4SMPD3HTTHSD11B1SMN1; SMN2
Hydrochloric Acid SCHEMBL30152392 0.84 IRAK4 (0.57) IRAK4SMPD3HTTHSD11B1SMN1; SMN2
Hydrochloric Acid SCHEMBL31474423 0.84 IRAK4 (0.57) IRAK4SMPD3HTTHSD11B1SMN1; SMN2
SCHEMBL10042194 0.83 HTT (0.58) IRAK4SMPD3HTTHSD11B1SMN1; SMN2
SCHEMBL309358 0.83 HSD11B1 (0.57) IRAK4SMPD3HTTHSD11B1SMN1; SMN2
SCHEMBL30798592 0.83 SMPD3 (0.56) IRAK4SMPD3HTTHSD11B1SMN1; SMN2
SCHEMBL18048147 0.82 IRAK4 (1.00) IRAK4HTTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4745138-A1 THIO-GLUTARIMIDO ISOINDOLINONE DERIVATIVE, BIFUNCTIONAL PROTEIN DEGRADER CONTAINING SAME, AND USES THEREOF Gluetacs Therapeutics (Shanghai) Co., Ltd. (CN) 2026-05-20 EP claimed
CN-120202200-A Oxo-isoindolinyl substituted tetrahydropyrimidinedione-based compounds and applications thereof 标新生物医药科技(上海)有限公司 2025-06-24 CN claimed
EP-3856251-B1 COMBINATION OF A PD-1 ANTAGONIST, AN ATR INHIBITOR AND A PLATINATING AGENT FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2024-10-09 EP claimed
EP-3840832-B1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LTD (GB) 2023-10-11 EP claimed
CN-116867494-A IRAK4 degrading agent and use thereof 凯麦拉医疗公司 2023-10-10 CN claimed
CN-116847842-A IRAK4 degrading agent and use thereof 凯麦拉医疗公司 2023-10-03 CN claimed
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP claimed
EP-4086259-A1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2022-11-09 EP claimed
EP-3268367-B1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2022-10-05 EP claimed
EP-4017856-A1 PHARMACEUTICAL COMPOUNDS Reviral Limited (GB) 2022-06-29 EP claimed
EP-3371190-B1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2022-03-30 EP claimed
EP-2802590-B1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-03-01 EP claimed
US-20140194404-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES MERCK SHARP & DOHME LLC 2014-07-10 US claimed
EP-2688872-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES Merck Sharp & Dohme Corp. (US) 2014-01-29 EP claimed
WO-2012129258-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES MERCK SHARP & DOHME CORP. (US) 2012-09-27 WO claimed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US claimed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO claimed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 IRAK4 480/4885SMPD3 2724/4885HTT 2091/4885
US-20140194404-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES IRAK4, IRAK3, IRAK1 IRAK4 1/4885SMPD3 3854/4885HTT 4303/4885

“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.