SCHEMBL3398936

SCHEMBL3398936

Nc1ccnc(OCCN2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.48
KCNH2 Q12809 1/20 0.48
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR2B P41595 1/20 0.47
POLB P06746 1/20 0.47
SYK P43405 1/20 0.47
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL2143957 0.87 LTA4H (0.51) SIGMAR1KDM4EALDH1A1
SCHEMBL430014 0.86 POLB (0.53) SIGMAR1KCNH2NPC1HTR2BPOLB
SCHEMBL7554391 0.83 SIGMAR1 (0.44) SIGMAR1KCNH2NPC1KDM4EALDH1A1
SCHEMBL460928 0.82 KDM4E (0.45) SIGMAR1KCNH2KDM4EALDH1A1TSHR
SCHEMBL460929 0.82 SIGMAR1 (0.46) SIGMAR1KCNH2NPC1KDM4EALDH1A1
SCHEMBL7554381 0.80 SIGMAR1 (0.44) SIGMAR1KCNH2NPC1KDM4EALDH1A1
SCHEMBL7554389 0.80 SIGMAR1 (0.44) SIGMAR1KCNH2NPC1KDM4EALDH1A1
SCHEMBL3118354 0.80 GAA (0.48) KDM4EALDH1A1POLBTSHR
SCHEMBL25263718 0.80 SIGMAR1 (0.48) SIGMAR1KCNH2KDM4EALDH1A1HTR2B
SCHEMBL445617 0.80 HRH2 (0.51) SIGMAR1NPC1KDM4EALDH1A1TSHR

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 SIGMAR1 2387/4885KCNH2 3325/4885NPC1 1600/4885

“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.