SCHEMBL3145537

SCHEMBL3145537

CC(=O)Nc1nc2ccc(Br)c(C)c2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 14/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
ADORA1 P30542 1/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
FSCN1 Q16658 1/20 0.50
PDPK1 O15530 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
PIK3CG P48736 2/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
CLK1 P49759 1/20 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
SCHEMBL25336208 0.85 DYRK1A (0.57) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL29682150 0.85 DYRK1A (0.57) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL3141935 0.84 DYRK1A (0.56) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL1619976 0.80 MEN1 (0.63) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL1558460 0.74 DYRK1A (0.58) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL715950 0.73 DYRK1A (1.00) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL12442963 0.72 DYRK1A (0.57) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL3142565 0.72 DYRK1A (0.63) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL8088920 0.71 MEN1 (0.63) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL2175580 0.71 DYRK1A (1.00) DYRK1ANPC1RAB9ACYP1A2CYP3A4

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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB DYRK1A 554/4885NPC1 1650/4885RAB9A 1046/4885

“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.