SCHEMBL3397140

SCHEMBL3397140

CN(C)CCN1CCN(Cc2cc(N)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
FYN P06241 1/20 0.38
YES1 P07947 1/20 0.38
LYN P07948 1/20 0.38
FGR P09769 1/20 0.38
SRC P12931 1/20 0.38
KDM5C P41229 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CXCR4 P61073 1/20 0.37
LMNA P02545 1/20 0.36
NR1H2 P55055 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HRH1 P35367 1/20 0.35
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
RAD52 P43351 2/20 0.34
CARM1 Q86X55 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL3396399 0.85 LMNA (0.51) KDM5CKDM4CCXCR4LMNANR1H2
SCHEMBL28790316 0.82 KDM5C (0.36) KDM5CKDM4CCXCR4LMNANR1H2
SCHEMBL14896745 0.80 CXCR4 (0.50) KDM5CKDM4CCXCR4LMNAHRH3
SCHEMBL25427279 0.79 CXCR4 (0.49) KDM5CKDM4CCXCR4LMNAHRH3
SCHEMBL28786467 0.78 KDM5C (0.41) KDM5CKDM4CCXCR4LMNANR1H2
SCHEMBL14896698 0.76 CXCR4 (0.51) KDM5CKDM4CCXCR4HRH3
SCHEMBL30856782 0.76 CXCR4 (0.51) KDM5CKDM4CCXCR4HRH3
SCHEMBL3402144 0.75 TRPV6 (0.53) KDM5CKDM4CCXCR4HRH3
SCHEMBL3396609 0.75 PIK3CD (0.41) KDM5CKDM4CCXCR4LMNAHRH1
SCHEMBL3400270 0.74 KMT2A (0.47) SIGMAR1FYNYES1LYNFGR

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 SIGMAR1 2387/4885FYN 12/4885YES1 28/4885

“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.