SCHEMBL3402144

SCHEMBL3402144

Nc1ccnc(CN2CCN(C3CC3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 11/20 0.53
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CXCR4 P61073 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL14896745 0.81 CXCR4 (0.50) KDM4EALDH1A1KMT2AKDM5CKDM4C
SCHEMBL3396399 0.80 LMNA (0.51) KDM4EKMT2AKDM5CKDM4CCXCR4
SCHEMBL25427279 0.80 CXCR4 (0.49) KDM4EALDH1A1KDM5CKDM4CCXCR4
SCHEMBL30856782 0.77 CXCR4 (0.51) KDM4EMEN1ALDH1A1KMT2AKDM5C
SCHEMBL14896698 0.77 CXCR4 (0.51) KDM4EMEN1ALDH1A1KMT2AKDM5C
SCHEMBL28786467 0.77 KDM5C (0.41) KDM4EALDH1A1KMT2AKDM5CKDM4C
SCHEMBL3402167 0.75 S1PR1 (0.47) KDM4EALDH1A1KDM5CKDM4CL3MBTL1
SCHEMBL3397140 0.75 SIGMAR1 (0.39) KDM5CKDM4CCXCR4HRH3
SCHEMBL28790316 0.74 KDM5C (0.36) KDM4EALDH1A1KMT2AKDM5CKDM4C
SCHEMBL4291633 0.74 ADRA1D (0.49) HRH3

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 6 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
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 TRPV6 2832/4885KDM4E 1741/4885MEN1 246/4885

“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.