SCHEMBL4493750

SCHEMBL4493750

Nc1nc(-c2c[nH]c3ncc(O)cc23)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TYR P14679 1/20 0.47
CYP3A4 P08684 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 5/20 0.44
CLK1 P49759 3/20 0.44
DYRK2 Q92630 3/20 0.44
DYRK1B Q9Y463 3/20 0.44
CCNT1 O60563 3/20 0.43

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
SCHEMBL13712184 0.83 MEN1 (0.49) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL4470131 0.83 MEN1 (0.49) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL1516690 0.83 PDPK1 (0.57) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL4475628 0.83 MEN1 (0.52) MEN1KMT2ARAB9AKDM4EALDH1A1
Bromide SCHEMBL1516571 0.82 PDPK1 (0.56) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL15500802 0.79 CDK8 (0.64) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL4474062 0.74 PDPK1 (0.63) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL1516783 0.74 MAP3K11 (0.71) MEN1KMT2ACYP3A4ROCK1DYRK1A
SCHEMBL8175861 0.74 CLK1 (0.46) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL13887926 0.72 ROCK1 (0.74) CYP3A4ROCK1DYRK1ACCNA2CDK2

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
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
CN-101014597-A Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMA (US) 2007-08-08 CN disclosed
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-05 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-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases ROCK2, ROCK1, TNK2 MEN1 875/4885KMT2A 1037/4885RAB9A 907/4885

“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.