SCHEMBL3401673

SCHEMBL3401673

CC1CN(c2ncc(N)cc2Cl)CC(C)N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.47
SCN9A Q15858 1/20 0.40
HTT P42858 2/20 0.39
BCL6 P41182 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
AURKA O14965 1/20 0.34
HDAC1 Q13547 1/20 0.34
PRMT5 O14744 1/20 0.34
FLT3 P36888 1/20 0.33
WEE1 P30291 2/20 0.33

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
SCHEMBL3401669 1.00 PTPN11 (0.47) PTPN11SCN9AHTTBCL6NCOR2
SCHEMBL3400729 0.84 FLT3 (0.40) PTPN11SCN9ABCL6NCOR2MAPK13
SCHEMBL3400723 0.84 FLT3 (0.40) PTPN11SCN9ABCL6NCOR2MAPK13
SCHEMBL23623078 0.83 KMT2A (0.41) HTTTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL23623075 0.83 KMT2A (0.41) HTTTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL23623074 0.83 KMT2A (0.41) HTTTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL4291755 0.81 BCL6 (0.41) PTPN11BCL6NCOR2PRMT5
SCHEMBL4291751 0.81 BCL6 (0.41) PTPN11BCL6NCOR2PRMT5
SCHEMBL3400387 0.80 TP53 (0.42) PTPN11SCN9ATP53MAPTSMN1; SMN2
SCHEMBL3401251 0.80 PTPN11 (0.36) PTPN11ALDH1A1HRH4AURKAHDAC1

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
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 PTPN11 129/4885SCN9A 2896/4885HTT 616/4885

“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.