SCHEMBL17350152

SCHEMBL17350152

O=C1Nc2ccccc2NC12CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.42
▸ PDK2 Q15119 2/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ BRD4 O60885 3/20 0.40
▸ CREBBP Q92793 2/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ CRBN Q96SW2 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FER P16591 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ LMNA P02545 2/20 0.38

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
SCHEMBL19225163 0.92 PDE7A (0.47) PDE7APDK2PDK4BACE1BRD4
SCHEMBL10758073 0.90 PDE7A (0.54) PDE7AMEN1KMT2ALMNAALDH1A1
SCHEMBL30552386 0.88 BACE1 (0.47) PDE7APDK2PDK4BACE1BRD4
SCHEMBL30552358 0.80 CRBN (0.56) CRBNALDH1A1GAAKDM4E
SCHEMBL30552354 0.80 CRBN (0.56) CRBNALDH1A1GAAKDM4E
SCHEMBL17524916 0.77 SCN9A (0.43) CRBNMEN1KMT2ALMNAALDH1A1
SCHEMBL24649691 0.76 CYP1A2 (0.46) BRD4CREBBPACVR1LRRK2ALDH1A1
SCHEMBL29022614 0.75 CRBN (0.48) CRBNMEN1KMT2AALDH1A1MAPK1
SCHEMBL24649815 0.74 PDE7A (0.38) PDE7AMEN1KMT2AMAOAMAOB
SCHEMBL26226526 0.72 MAPK1 (0.48) CRBNMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022222995-A1 PICOLINAMIDE COMPOUND 南京明德新药研发有限公司 2022-10-27 — — WO disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 — — US disclosed
EP-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 — — EP disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 — — US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 — — US 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 PDE7A 4384/4885PDK2 693/4885PDK4 1191/4885

“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.

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