SCHEMBL3401688

SCHEMBL3401688

Cc1ccc(N)cc1Cn1cnnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 3/20 0.45
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PRKCI P41743 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ACHE P22303 2/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
CYP19A1 P11511 2/20 0.35
PDE10A Q9Y233 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
SCHEMBL4290436 0.80 CYP11B1 (0.62) ALDH1A1KDM4ECYP11B1CYP11B2CYP19A1
SCHEMBL2232910 0.72 ALDH1A1 (0.56) KMT2AMAPK1CASP1ALDH1A1CYP3A4
SCHEMBL3399817 0.71 CYP2A13 (0.61) KMT2AMAPK1MAPTKDM4ELMNA
SCHEMBL29182981 0.70 ACHE (0.63) KMT2AMAPK1ALDH1A1TSHRMAPT
SCHEMBL4283790 0.70 KMT2A (0.50) KMT2AMAPK1CASP1ALDH1A1CYP3A4
SCHEMBL4294198 0.70 KMT2A (0.43) KMT2AMAPK1CASP1ALDH1A1TSHR
SCHEMBL3399659 0.70 MAPT (0.44) KMT2AMAPK1CASP1ALDH1A1MAPT
SCHEMBL455280 0.70 ALDH1A1 (0.54) KMT2AMAPK1CASP1ALDH1A1CYP3A4
SCHEMBL5953121 0.70 ALDH1A1 (0.54) KMT2AMAPK1CASP1ALDH1A1CYP3A4
SCHEMBL21418315 0.69 ALDH1A1 (0.48) KMT2AMAPK1CASP1ALDH1A1CYP3A4

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 13/4885CASP1 3303/4885

“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.