SCHEMBL3401262

SCHEMBL3401262

Cc1ccc(N)cc1CN1C[C@H](C)NC[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CD O00329 1/20 0.34
ACHE P22303 2/20 0.33
ALDH1A1 P00352 3/20 0.33
CASP1 P29466 3/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL13746302 0.79 ALDH1A1 (0.51) SIGMAR1ALDH1A1LMNAMAPT
SCHEMBL3401749 0.79 ALDH1A1 (0.51) SIGMAR1ALDH1A1LMNAMAPT
SCHEMBL3397026 0.74 KMT2A (0.46) SIGMAR1MAPK1KMT2AACHEALDH1A1
SCHEMBL3397028 0.74 KMT2A (0.46) SIGMAR1MAPK1KMT2AACHEALDH1A1
SCHEMBL31305862 0.71 SIGMAR1 (0.49) SIGMAR1ACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL14188698 0.71 SIGMAR1 (0.51) SIGMAR1ALDH1A1LMNAMAPT
SCHEMBL13936125 0.70 SIGMAR1 (0.51) SIGMAR1ALDH1A1KDM4ETSHR
SCHEMBL14456677 0.70 SIGMAR1 (0.51) SIGMAR1ALDH1A1TSHR
SCHEMBL14566377 0.70 SIGMAR1 (0.51) SIGMAR1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL10664903 0.70 SIGMAR1 (0.51) SIGMAR1ALDH1A1KDM4ETSHR

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 2387/4885MAPK1 13/4885KMT2A 1885/4885

“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.