SCHEMBL8254152

SCHEMBL8254152

CC(N)c1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.34
CFD P00746 1/20 0.33
F11 P03951 1/20 0.33
TPSB2 P20231 1/20 0.33
NOTUM Q6P988 1/20 0.33
ENPP2 Q13822 1/20 0.31
CDK8 P49336 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL8248219 1.00 IRAK4 (0.34) IRAK4CFDF11TPSB2NOTUM
SCHEMBL12052152 1.00 IRAK4 (0.34) IRAK4CFDF11TPSB2NOTUM
SCHEMBL12545623 0.87 RXRA (0.41) NOTUMBRD4CREBBP
SCHEMBL13524580 0.84 RXRA (0.42) NOTUMCDK8BRD4CREBBP
SCHEMBL19441095 0.84 NOTUM (0.33) NOTUMCDK8BRD4BRD2CREBBP
SCHEMBL7382411 0.84 NOTUM (0.35) NOTUMCDK8BRD4BRD2CREBBP
SCHEMBL949999 0.81 APP (0.36)
SCHEMBL12052098 0.80 ADRB2 (0.39)
SCHEMBL8254362 0.80 ADRB2 (0.39)
SCHEMBL8248224 0.80 ADRB2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 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 (2 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 IRAK4 272/4885CFD 2393/4885F11 4073/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 IRAK4 272/4885CFD 2393/4885F11 4073/4885

“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.