Sugi Predict

Sugi Predict / Compounds / SCHEMBL18179947

SCHEMBL18179947

SCHEMBL18179947

CN(C(=O)[C@@H](N)Cc1cc(F)cc(F)c1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.41
▸ POLQ O75417 1/20 0.41
▸ CIT O14578 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ DPP4 P27487 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PYGL P06737 1/20 0.35

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
SCHEMBL18179940 0.83 CIT (0.39) CITLMNAAKT1AKT2AKT3
SCHEMBL18180056 0.79 CIT (0.38) CITGPBAR1AKT1AKT2AKT3
SCHEMBL19999804 0.79 CIT (0.38) CITLMNAAKT1AKT2AKT3
SCHEMBL18180378 0.79 CIT (0.38) CITAKT1AKT2AKT3AAK1
SCHEMBL18181151 0.79 AAK1 (0.39) CITAAK1
SCHEMBL18180243 0.79 CIT (0.36) CITAKT1AKT2AKT3AAK1
SCHEMBL18180214 0.78 OXTR (0.45) CITAAK1
SCHEMBL18180374 0.78 GPBAR1 (0.38) CITGPBAR1AKT1AKT2AKT3
SCHEMBL21992122 0.78 POLQ (0.38) TRPV1POLQNOTUMLMNACYP3A4
SCHEMBL19962108 0.78 CIT (0.40) CITPKMAKT1AKT2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TRPV1 4823/4885POLQ 46/4885CIT 1337/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H TRPV1 4823/4885POLQ 46/4885CIT 1337/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E TRPV1 4857/4885POLQ 28/4885CIT 1229/4885

“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.