Sugi Predict

Sugi Predict / Compounds / SCHEMBL4434968

SCHEMBL4434968

SCHEMBL4434968

CC(C)(C)OC(=O)Nc1cc(-c2ccncc2NN(Cc2ccccc2)C(=O)O)nc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.39
▸ NAMPT P43490 1/20 0.35
▸ PDE5A O76074 2/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE1A P54750 2/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ PDE3B Q13370 2/20 0.34
▸ PDE1C Q14123 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ ACVR1B P36896 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ ACVRL1 P37023 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL4445771 0.78 AAK1 (0.39) NAMPTMAP4K1ACVR1BTGFBR1ACVRL1
SCHEMBL4433849 0.76 IRAK4 (0.40) NAMPTACVR1BTGFBR1ACVRL1NTRK1
SCHEMBL4566008 0.74 MAPKAPK2 (0.36) NAMPTACVR1BTGFBR1ACVRL1GPBAR1
SCHEMBL4442417 0.73 PIM2 (0.44) —
SCHEMBL27796427 0.69 AAK1 (0.36) NAMPTMAP4K1ACVR1BTGFBR1ACVRL1
SCHEMBL24019180 0.67 AKT1 (0.49) AKT1BRD4SCN9A
SCHEMBL4438011 0.65 ATF1 (0.42) GSK3BSCN9ALMNAPOLB
SCHEMBL4445160 0.65 PIK3CA (0.39) NAMPTMAP4K1ACVR1BTGFBR1ACVRL1
SCHEMBL18089229 0.65 ATR (0.46) NAMPTPDE5APDE4APDE1APDE1B
SCHEMBL4437706 0.63 TRPV1 (0.42) MAP4K1ROCK2POLB

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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 — — EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 — — US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 — — EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 — — 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 AKT1 92/4885NAMPT 2779/4885PDE5A 2353/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 AKT1 92/4885NAMPT 2779/4885PDE5A 2353/4885

“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.