SCHEMBL5347144

SCHEMBL5347144

CN(C)c1ccc(Nc2ccccc2-c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.54
CYP2D6 P10635 5/20 0.54
CYP3A4 P08684 5/20 0.54
CYP2C19 P33261 4/20 0.54
MAPK1 P28482 4/20 0.54
ALDH1A1 P00352 4/20 0.54
CLK4 Q9HAZ1 3/20 0.54
HSD17B10 Q99714 3/20 0.54
USP2 O75604 2/20 0.54
ALOX15 P16050 2/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 2/20 0.54
KMT2A Q03164 2/20 0.54
GLA P06280 1/20 0.54
CYP2C9 P11712 1/20 0.54
ABL1 P00519 4/20 0.53
BCR P11274 4/20 0.53
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 2/20 0.47

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
SCHEMBL5347641 0.91 ABL1 (0.62) CYP1A2CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL5357407 0.88 ABL1 (0.56) CYP1A2CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL5351819 0.86 CYP1A2 (0.62) CYP1A2CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL5344234 0.85 ABL1 (0.56) CYP1A2CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL5355726 0.84 CYP1A2 (0.60) CYP1A2CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL5343338 0.84 CYP1A2 (0.52) CYP1A2CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL5346607 0.83 ABL1 (0.56) CYP1A2CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL5344061 0.83 ABL1 (0.56) CYP1A2CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL5344003 0.83 ABL1 (0.53) CYP1A2CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL5355746 0.83 ABL1 (0.53) CYP1A2CYP2D6CYP3A4CYP2C19MAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007507531-A 2007-03-29 JP claimed
US-7189729-B2 Methods and compositions as protein kinase inhibitors IRM LLC (BM) 2007-03-13 US claimed
EP-1670771-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-06-21 EP claimed
US-20050171105-A1 For therapy of benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC (BM) 2005-08-04 US claimed
WO-2005033086-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-14 WO claimed
US-7189729-B2 Methods and compositions as protein kinase inhibitors IRM LLC (BM) 2007-03-13 US disclosed
US-7189729-B2 Methods and compositions as protein kinase inhibitors IRM LLC (BM) 2007-03-13 US disclosed
US-7189729-B2 Methods and compositions as protein kinase inhibitors IRM LLC (BM) 2007-03-13 US disclosed
US-20050171105-A1 For therapy of benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC (BM) 2005-08-04 US 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-20050171105-A1 For therapy of benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems ERBB2, ERBB3, ERBB4 CYP1A2 4477/4885CYP2D6 4609/4885CYP3A4 4342/4885

“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.