SCHEMBL3400729

SCHEMBL3400729

Cc1cc(N)cnc1N1CC(C)NC(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.40
PTPN11 Q06124 3/20 0.39
AURKA O14965 1/20 0.34
HDAC1 Q13547 1/20 0.34
PRMT5 O14744 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
PARP15 Q460N3 1/20 0.32

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
SCHEMBL3400723 1.00 FLT3 (0.40) FLT3PTPN11AURKAHDAC1PRMT5
SCHEMBL3401673 0.84 PTPN11 (0.47) FLT3PTPN11AURKAHDAC1PRMT5
SCHEMBL3401669 0.84 PTPN11 (0.47) FLT3PTPN11AURKAHDAC1PRMT5
SCHEMBL29209033 0.81 PIK3CA (0.43) LMNAKMT2A
SCHEMBL29209035 0.81 PIK3CA (0.43) LMNAKMT2A
SCHEMBL29208999 0.81 PIK3CA (0.43) LMNAKMT2A
SCHEMBL22777934 0.81 OPRK1 (0.34) FLT3TRPV1KMT2A
SCHEMBL4291755 0.81 BCL6 (0.41) PTPN11PRMT5TGFBR1ACVR1KCNH2
SCHEMBL4291751 0.81 BCL6 (0.41) PTPN11PRMT5TGFBR1ACVR1KCNH2
SCHEMBL3400387 0.80 TP53 (0.42) PTPN11AURKAHDAC1PRMT5TRPV1

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
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
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 FLT3 48/4885PTPN11 129/4885AURKA 755/4885

“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.