SCHEMBL3399112

SCHEMBL3399112

Cc1ccc(N)cc1CN1CCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
SYK P43405 3/20 0.43
CYP3A4 P08684 1/20 0.43
JAK3 P52333 1/20 0.43
ACHE P22303 3/20 0.43
CD274 Q9NZQ7 5/20 0.42
PDCD1LG2 Q9BQ51 3/20 0.42
PDCD1 Q15116 2/20 0.42
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
CCR5 P51681 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL4291807 0.88 KMT2A (0.48) KMT2AMAPK1SYKCYP3A4ACHE
SCHEMBL6274032 0.85 ACHE (0.45) MAPK1SYKCYP3A4JAK3ACHE
Hydrochloric Acid SCHEMBL6273972 0.84 ACHE (0.47) MAPK1SYKCYP3A4JAK3ACHE
SCHEMBL13242865 0.83 ACHE (0.43) ACHECD274PDCD1LG2TSHRCCR5
SCHEMBL13242867 0.83 ACHE (0.43) ACHECD274PDCD1LG2TSHRCCR5
SCHEMBL6347933 0.82 KDM4E (0.42) MAPK1SYKCYP3A4JAK3ACHE
Hydrochloric Acid SCHEMBL6347620 0.81 ACHE (0.43) MAPK1SYKCYP3A4JAK3ACHE
SCHEMBL3399889 0.81 KMT2A (0.45) KMT2AMAPK1ACHECD274PDCD1
SCHEMBL4285309 0.81 KMT2A (0.45) KMT2AMAPK1ACHEMEN1KDM4E
SCHEMBL3401722 0.80 MAPK1 (0.40) KMT2AMAPK1SYKCYP3A4JAK3

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
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 CN 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 13/4885SYK 90/4885

“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.