SCHEMBL3399543

SCHEMBL3399543

Nc1cccc(C(=O)N2CCN(C3CC3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 6/20 0.62
L3MBTL1 Q9Y468 5/20 0.62
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CCR3 P51677 1/20 0.58
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HTT P42858 1/20 0.57
MGLL Q99685 1/20 0.57
POLB P06746 1/20 0.56
L3MBTL4 Q8NA19 1/20 0.56
MBTD1 Q05BQ5 1/20 0.54
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL12156532 0.87 L3MBTL3 (0.79) L3MBTL3L3MBTL1CCR3L3MBTL4MBTD1
SCHEMBL16573965 0.82 HPGD (0.66) L3MBTL3L3MBTL1KDM4EALDH1A1HTT
SCHEMBL24557368 0.82 MGLL (0.64) L3MBTL3L3MBTL1CA12CA1CA2
SCHEMBL12156597 0.82 MGLL (0.64) L3MBTL3L3MBTL1CA12CA1CA2
SCHEMBL3093793 0.81 CA12 (0.65) L3MBTL1CA12CA1CA2CA7
SCHEMBL1877596 0.81 KDM4E (0.68) L3MBTL3L3MBTL1CA12CA1CA2
SCHEMBL15271489 0.81 CA12 (0.64) L3MBTL3L3MBTL1CA12CA1CA2
SCHEMBL10293600 0.81 KDM4E (0.79) L3MBTL3L3MBTL1KDM4EALDH1A1POLB
SCHEMBL14079950 0.81 KDM4E (0.53) L3MBTL3L3MBTL1CA12CA1CA2
SCHEMBL520565 0.80 CA12 (0.63) CA12CA1CA2CA7CA9

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
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

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 L3MBTL3 4289/4885L3MBTL1 3749/4885CA12 3877/4885

“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.