SCHEMBL3399889

SCHEMBL3399889

COC1CCN(Cc2cc(N)ccc2C)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MAPK1 P28482 1/20 0.45
BACE1 P56817 1/20 0.43
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
LTA4H P09960 2/20 0.39
TACR1 P25103 1/20 0.39
ACHE P22303 3/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 2/20 0.38
GRM2 Q14416 1/20 0.36
CDC7 O00311 1/20 0.36
PIM1 P11309 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
DRD4 P21917 1/20 0.35

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
SCHEMBL3399585 0.89 MAPK1 (0.46) KMT2AMAPK1PDCD1CD274LTA4H
SCHEMBL27825156 0.83 LMNA (0.46) KMT2AMAPK1TACR1ACHEPOLB
SCHEMBL3399112 0.81 KMT2A (0.47) KMT2AMAPK1PDCD1CD274ACHE
SCHEMBL24566038 0.80 NR1H2 (0.60) KMT2ABACE1LTA4HMEN1
SCHEMBL24566107 0.80 NR1H2 (0.60) KMT2ABACE1LTA4HMEN1
SCHEMBL4288563 0.79 LTA4H (0.54) LTA4HSIGMAR1GRM2
SCHEMBL13343762 0.79 LTA4H (0.54) LTA4HSIGMAR1GRM2
SCHEMBL4285309 0.78 KMT2A (0.45) KMT2AMAPK1LTA4HACHEMEN1
SCHEMBL3396502 0.75 LTA4H (0.41) KMT2ABACE1PDCD1CD274LTA4H
SCHEMBL4291807 0.74 KMT2A (0.48) KMT2AMAPK1TACR1ACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1885/4885MAPK1 13/4885BACE1 2300/4885

“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.