SCHEMBL3397028

SCHEMBL3397028

Cc1ccc(N)cc1CN1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MAPK1 P28482 2/20 0.46
SIGMAR1 Q99720 4/20 0.44
ACHE P22303 3/20 0.39
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.36
CASP1 P29466 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
HTT P42858 1/20 0.35
SCARB1 Q8WTV0 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
SCHEMBL3397026 1.00 KMT2A (0.46) KMT2AMAPK1SIGMAR1ACHEMEN1
SCHEMBL3401624 0.88 SIGMAR1 (0.44) KMT2AMAPK1SIGMAR1ACHEMEN1
SCHEMBL3401621 0.88 SIGMAR1 (0.44) KMT2AMAPK1SIGMAR1ACHEMEN1
SCHEMBL4291807 0.81 KMT2A (0.48) KMT2AMAPK1ACHEMEN1ALDH1A1
SCHEMBL3399585 0.79 MAPK1 (0.46) KMT2AMAPK1SIGMAR1ACHEALDH1A1
SCHEMBL3396309 0.76 LMNA (0.51) SIGMAR1ALDH1A1CYP3A4GBA1
SCHEMBL3396312 0.76 LMNA (0.51) SIGMAR1ALDH1A1CYP3A4GBA1
SCHEMBL3401262 0.74 SIGMAR1 (0.42) KMT2AMAPK1SIGMAR1ACHEALDH1A1
SCHEMBL29182981 0.74 ACHE (0.63) KMT2AMAPK1ACHEMEN1ALDH1A1
SCHEMBL15650085 0.74 SIGMAR1 (0.45) KMT2AMAPK1SIGMAR1MEN1ALDH1A1

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 KMT2A 1885/4885MAPK1 13/4885SIGMAR1 2387/4885

“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.