SCHEMBL4293441

SCHEMBL4293441

Cc1ccc(N)cc1CN1CCC(F)(F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ACHE P22303 2/20 0.40
SYK P43405 1/20 0.38
NR1H2 P55055 1/20 0.38
S1PR1 P21453 1/20 0.37
FGFR1 P11362 1/20 0.37
ADORA2A P29274 3/20 0.36
ADORA1 P30542 2/20 0.36
TLR7 Q9NYK1 2/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
CYP3A4 P08684 1/20 0.35
MGLL Q99685 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL3401722 0.90 MAPK1 (0.40) MAPK1KMT2APDCD1CD274ACHE
SCHEMBL3401336 0.80 MAPK1 (0.44) MAPK1KMT2AACHENR1H2CYP3A4
SCHEMBL24566166 0.78 NR1H2 (0.61) KMT2AACHENR1H2ADORA2AADORA1
SCHEMBL3401846 0.77 KMT2A (0.44) MAPK1KMT2ACD274ACHENR1H2
SCHEMBL16588033 0.76 POLB (0.48) KMT2ASYK
SCHEMBL3400443 0.75 ALDH1A1 (0.53) ADORA2AADORA1TLR7
SCHEMBL29182981 0.75 ACHE (0.63) MAPK1KMT2AACHENR1H2GAA
SCHEMBL3396475 0.75 KMT2A (0.45) MAPK1KMT2AACHENR1H2CYP3A4
SCHEMBL24202536 0.75 GRM2 (0.42) PDCD1CD274TLR7MGLL
SCHEMBL12553047 0.74 KMT2A (0.60) MAPK1KMT2AACHENR1H2GAA

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 3 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
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 MAPK1 13/4885KMT2A 1885/4885PDCD1 1665/4885

“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.