Sugi Predict

Sugi Predict / Compounds / SCHEMBL18180243

SCHEMBL18180243

SCHEMBL18180243

Cc1ncc(N(C)C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CIT O14578 1/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ MAOB P27338 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ BACE1 P56817 5/20 0.32
▸ SLC1A1 P43005 2/20 0.32
▸ CTSD P07339 4/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL18180384 0.88 CIT (0.35) CITAKT1AKT2AKT3MAOB
SCHEMBL18179940 0.86 CIT (0.39) CITAKT1AKT2AKT3MAOB
SCHEMBL18180350 0.86 CIT (0.35) CITAKT1AKT2AKT3MAOB
SCHEMBL18180052 0.84 CIT (0.34) CITAKT1AKT2AKT3MAOB
SCHEMBL18180056 0.82 CIT (0.38) CITAKT1AKT2AKT3MAOB
SCHEMBL19999804 0.82 CIT (0.38) CITAKT1AKT2AKT3MAOB
SCHEMBL18180378 0.82 CIT (0.38) CITAKT1AKT2AKT3MAOB
SCHEMBL18179962 0.82 SLC7A5 (0.36) CITAKT1AKT2AKT3MAOB
SCHEMBL18180214 0.81 OXTR (0.45) CITAAK1MEN1KMT2A
SCHEMBL18180374 0.81 GPBAR1 (0.38) CITAKT1AKT2AKT3AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 — — EP disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 — — US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 — — US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 — — US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 — — US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 — — US disclosed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 — — WO disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 — — 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 (3 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H CIT 1337/4885AKT1 1661/4885AKT2 2351/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CIT 1337/4885AKT1 1661/4885AKT2 2351/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E CIT 1229/4885AKT1 2121/4885AKT2 2549/4885

“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.