SCHEMBL4291807

SCHEMBL4291807

Cc1ccc(N)cc1CN1CC(O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.48
ACHE P22303 2/20 0.44
GBA1 P04062 2/20 0.40
SYK P43405 2/20 0.40
CASP1 P29466 3/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
TACR1 P25103 1/20 0.36
NR1H2 P55055 1/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 1/20 0.35
PDE10A Q9Y233 1/20 0.35
THRB P10828 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
SCHEMBL3399112 0.88 KMT2A (0.47) KMT2AMAPK1ACHESYKTSHR
SCHEMBL3401722 0.85 MAPK1 (0.40) KMT2AMAPK1ACHEGBA1SYK
SCHEMBL3399585 0.81 MAPK1 (0.46) KMT2AMAPK1ACHEGBA1CASP1
SCHEMBL3397026 0.81 KMT2A (0.46) KMT2AMAPK1ACHEGBA1CASP1
SCHEMBL3397028 0.81 KMT2A (0.46) KMT2AMAPK1ACHEGBA1CASP1
SCHEMBL4296964 0.81 ACHE (0.44) ACHEGBA1TSHRALDH1A1KDM4E
SCHEMBL29182981 0.77 ACHE (0.63) KMT2AMAPK1ACHETSHRALDH1A1
SCHEMBL12553047 0.75 KMT2A (0.60) KMT2AMAPK1ACHEALDH1A1KDM4E
SCHEMBL3396724 0.75 NR1H2 (0.60) KMT2AMAPK1ACHEALDH1A1KDM4E
SCHEMBL27804070 0.75 KMT2A (0.49) KMT2AMAPK1ACHECASP1TSHR

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
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
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 CN disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 KMT2A 1885/4885MAPK1 13/4885ACHE 4251/4885

“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.