SCHEMBL5346607

SCHEMBL5346607

Fc1ccccc1Nc1ccccc1-c1cc(Nc2ccc(C(F)(F)F)cc2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.56
BCR P11274 6/20 0.56
CYP1A2 P05177 5/20 0.52
CYP2D6 P10635 4/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 3/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TRPV1 Q8NER1 3/20 0.47
TSHR P16473 1/20 0.47
CDK9 P50750 1/20 0.45
TNNI3K Q59H18 2/20 0.43
CDK4 P11802 2/20 0.41
CDK2 P24941 1/20 0.41

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 0.92 ABL1 (0.62) ABL1BCRCYP1A2CYP2D6CYP2C19
SCHEMBL5351819 0.89 CYP1A2 (0.62) ABL1BCRCYP1A2CYP2D6CYP2C19
SCHEMBL5344061 0.88 ABL1 (0.56) ABL1BCRCYP1A2CYP2D6CYP2C19
SCHEMBL5343983 0.87 ABL1 (0.55) ABL1BCRCYP1A2CYP2D6CYP2C19
SCHEMBL5355726 0.87 CYP1A2 (0.60) ABL1BCRCYP1A2CYP2D6CYP2C19
SCHEMBL5357407 0.86 ABL1 (0.56) ABL1BCRCYP1A2CYP2D6CYP2C19
SCHEMBL5344234 0.86 ABL1 (0.56) ABL1BCRCYP1A2CYP2D6CYP2C19
SCHEMBL5355746 0.85 ABL1 (0.53) ABL1BCRCYP1A2CYP2D6CYP2C19
SCHEMBL5344003 0.83 ABL1 (0.53) ABL1BCRCYP1A2CYP2D6CYP2C19
SCHEMBL5347144 0.83 CYP1A2 (0.54) ABL1BCRCYP1A2CYP2D6CYP2C19

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 11 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
EP-1670771-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-06-21 EP 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
WO-2005033086-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-14 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-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 ABL1 72/4885BCR 58/4885CYP1A2 4477/4885

“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.