SCHEMBL20355596

SCHEMBL20355596

O=C(Nc1ccccc1F)c1cnc2ccc(N3CCCC(C(F)(F)F)C3)nn12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 8/20 0.53
▸ PIM1 P11309 3/20 0.42
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA4 P22748 3/20 0.41
▸ CA7 P43166 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NTRK1 P04629 5/20 0.41
▸ NTRK3 Q16288 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39

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
SCHEMBL14897744 0.90 IRAK4 (0.52) IRAK4PIM1NTRK1
SCHEMBL20355593 0.86 IRAK4 (0.53) IRAK4TP53
SCHEMBL14897701 0.84 IRAK4 (0.49) IRAK4NTRK1
SCHEMBL18654583 0.84 IRAK4 (0.53) IRAK4PIM1NTRK1NTRK3NTRK2
SCHEMBL14896942 0.83 IRAK4 (0.49) IRAK4PIM1NTRK1NTRK3NTRK2
SCHEMBL14896727 0.83 IRAK4 (0.49) IRAK4PIM1NTRK1NTRK3NTRK2
SCHEMBL14897225 0.83 IRAK4 (0.48) IRAK4PIM1NTRK1NTRK3
SCHEMBL18654582 0.81 IRAK4 (0.48) IRAK4PIM1NTRK1NTRK3
SCHEMBL14897235 0.80 IRAK4 (0.49) IRAK4PIM1NTRK1NTRK3NTRK2
SCHEMBL16193126 0.80 IRAK4 (0.48) IRAK4PIM1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — 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-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IRAK4 3168/4885PIM1 4551/4885CA12 4814/4885

“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.

Send feedback