SCHEMBL4285071

SCHEMBL4285071

Cc1ccc(NC(O)c2cn(Cc3cc(N)ccc3C)nn2)cc1Cn1cc(CN(C)C)nn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 1/20 0.33
CHRNE Q04844 1/20 0.32
HSP90AB1 P08238 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
ANPEP P15144 1/20 0.31
AMY1A P0DUB6 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CRHBP P24387 1/20 0.31
RECQL P46063 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL27804115 0.84 CHRNE (0.42) MAPK1KMT2AHDAC1CHRNEHSP90AB1
SCHEMBL27804109 0.73 NOTUM (0.48) MAPK1KMT2AHDAC1CHRNEANPEP
SCHEMBL2176041 0.63 ALDH1A1 (0.50) MAPK1KMT2AGAAMAPTRECQL
Hydrochloric Acid SCHEMBL5913639 0.62 ALDH1A1 (0.48) MAPK1KMT2AGAAMAPT
SCHEMBL3399659 0.58 MAPT (0.44) MAPK1KMT2AMAPT
SCHEMBL15425743 0.58 CYP19A1 (0.67) HSP90AB1NPC1
SCHEMBL12432223 0.56 NOTUM (0.42) HSP90AB1
SCHEMBL16198599 0.56 HDAC1 (0.51) HDAC1HSP90AB1MAPT
SCHEMBL4294198 0.56 KMT2A (0.43) MAPK1KMT2AHDAC1ADRB2ADRB1
SCHEMBL3401065 0.56 MAPT (0.39) MAPK1KMT2AMAPT

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 2 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
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 1885/4885HDAC1 1109/4885

“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.