Sugi Predict

Sugi Predict / Compounds / SCHEMBL3396729

SCHEMBL3396729

SCHEMBL3396729

C[C@@H]1CN(C(=O)c2cccc(N)c2)C[C@H](C)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.54
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ MGLL Q99685 1/20 0.48
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.42
▸ CHRNB2 P17787 2/20 0.42
▸ CHRNB4 P30926 2/20 0.42
▸ CHRNA3 P32297 2/20 0.42
▸ CHRNA7 P36544 2/20 0.42
▸ CHRNA4 P43681 2/20 0.42
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MITF O75030 1/20 0.41

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
SCHEMBL3396733 1.00 HSD17B10 (0.54) HSD17B10CA12CA1CA2CA7
SCHEMBL14627643 0.82 HSD17B10 (0.80) HSD17B10CA12CA1CA2CA7
SCHEMBL29804524 0.81 CA12 (0.54) HSD17B10CA12CA1CA2CA7
SCHEMBL22702112 0.81 CA12 (0.54) HSD17B10CA12CA1CA2CA7
SCHEMBL6337502 0.81 CA12 (0.46) HSD17B10CA12CA1CA2CA7
SCHEMBL6337466 0.81 CA12 (0.46) HSD17B10CA12CA1CA2CA7
SCHEMBL14304554 0.81 CHRNB2 (0.60) HSD17B10CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10293597 0.81 CHRNB2 (0.60) HSD17B10CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16054537 0.81 HSD17B10 (0.44) HSD17B10L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL22702048 0.80 CA12 (0.56) HSD17B10CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 — — CN disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 — — EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — WO disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — 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 (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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 HSD17B10 3045/4885CA12 3877/4885CA1 4058/4885

“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.