SCHEMBL4294198

SCHEMBL4294198

Cc1ccc(N)cc1Cn1cccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
KAT7 O95251 3/20 0.42
KAT6A Q92794 3/20 0.42
BRD4 O60885 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
KLKB1 P03952 3/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ADCY10 Q96PN6 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KAT6B Q8WYB5 1/20 0.38

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
SCHEMBL3434953 0.88 CYP11B1 (0.53) MAPT
SCHEMBL27385894 0.78 CYP11B1 (0.53) KMT2ABRD4NOS3NOS1HTT
SCHEMBL30965501 0.78 HTT (0.39) KMT2ABRD4NOS3NOS1TDP1
SCHEMBL24065507 0.78 HTT (0.39) KMT2ABRD4NOS3NOS1TDP1
SCHEMBL3399659 0.75 MAPT (0.44) KMT2AMAPK1KLKB1MEN1MAPT
SCHEMBL30965507 0.75 BRD4 (0.42) KMT2ABRD4TDP1HTTMEN1
SCHEMBL24065389 0.75 BRD4 (0.42) KMT2ABRD4TDP1HTTMEN1
SCHEMBL24065488 0.74 MAPT (0.41) KMT2AKAT7KAT6ABRD4NOS3
SCHEMBL30965498 0.74 MAPT (0.41) KMT2AKAT7KAT6ABRD4NOS3
SCHEMBL265575 0.73 MAPT (0.60) KMT2ABRD4NOS3NOS1TDP1

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 13/4885KAT7 2500/4885

“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.