SCHEMBL3401869

SCHEMBL3401869

O=C(c1ccc(Br)cc1)N1CCN(CCO)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.71
CYP2C19 P33261 1/20 0.71
DUSP3 P51452 1/20 0.71
PTPN5 P54829 1/20 0.71
PTPN11 Q06124 1/20 0.71
KMT2A Q03164 4/20 0.66
POLB P06746 3/20 0.65
ALDH1A1 P00352 3/20 0.65
THRB P10828 1/20 0.64
HPGD P15428 2/20 0.62
GPR183 P32249 1/20 0.61
NAMPT P43490 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TP53 P04637 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL6857107 0.89 KMT2A (0.68) CYP2D6CYP2C19DUSP3PTPN5PTPN11
SCHEMBL21122195 0.86 KMT2A (0.64) CYP2D6CYP2C19DUSP3PTPN5PTPN11
SCHEMBL16299414 0.84 ALDH1A1 (0.65) CYP2D6CYP2C19DUSP3PTPN5PTPN11
SCHEMBL3233139 0.84 ALDH1A1 (0.65) CYP2D6CYP2C19DUSP3PTPN5PTPN11
SCHEMBL2377318 0.84 ALDH1A1 (0.69) CYP2D6CYP2C19DUSP3PTPN5PTPN11
SCHEMBL10211716 0.84 ALDH1A1 (0.69) KMT2APOLBALDH1A1HPGDNAMPT
SCHEMBL1192814 0.83 KMT2A (0.71) KMT2APOLBALDH1A1HPGDNAMPT
SCHEMBL19623533 0.81 ALDH1A1 (0.62) CYP2D6CYP2C19DUSP3PTPN5PTPN11
SCHEMBL1950937 0.81 ALDH1A1 (0.62) CYP2D6CYP2C19DUSP3PTPN5PTPN11
SCHEMBL19634400 0.81 ALDH1A1 (0.62) CYP2D6CYP2C19DUSP3PTPN5PTPN11

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 CYP2D6 240/4885CYP2C19 328/4885DUSP3 354/4885

“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.