SCHEMBL3333555

SCHEMBL3333555

COCCOc1ccc(N)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
NCF1 P14598 8/20 0.41
MPO P05164 1/20 0.41
TPO P07202 1/20 0.41
EPX P11678 1/20 0.41
LPO P22079 1/20 0.41
CHEK2 O96017 1/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10279192 0.91 NOS3 (0.41) NOS3NOS2NCF1MPOTPO
SCHEMBL23634063 0.90 NCF1 (0.47) NOS3NOS2NCF1MPOTPO
SCHEMBL1479289 0.85 NCF1 (0.44) NCF1MPOTPOEPXLPO
SCHEMBL23634060 0.84 NCF1 (0.56) NCF1MPOTPOEPXLPO
SCHEMBL1920453 0.82 RAB9A (0.54) NOS3NOS2NCF1MPOTPO
SCHEMBL4156883 0.82 RAB9A (0.54)
SCHEMBL10201688 0.79 MCHR1 (0.38) NOS3NOS2MPOTPOEPX
SCHEMBL30461576 0.78 APP (0.43) NOS3NOS2NCF1MPOTPO
SCHEMBL28675571 0.78 APP (0.43) NOS3NOS2NCF1MPOTPO
SCHEMBL7943292 0.78 CHRNB2 (0.46)

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
CN-118434744-A Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-08-02 CN disclosed
WO-2024046512-A2 NITROGEN-CONTAINING MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-03-07 WO disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-06-10 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed
EP-2139888-A2 IMIDAZOÝ1,2-A¨PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-01-06 EP disclosed
WO-2008121687-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-09 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 (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-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 NOS3 1274/4885NOS2 1621/4885NCF1 1949/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 NOS3 3993/4885NOS2 3572/4885NCF1 1312/4885

“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.