Sugi Predict

Sugi Predict / Compounds / SCHEMBL23623602

SCHEMBL23623602

SCHEMBL23623602

COc1ccc(F)cc1-c1nc(CNC(=O)c2cnccc2OC(F)(F)F)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.40
▸ HSD17B13 Q7Z5P4 1/20 0.39
▸ GPBAR1 Q8TDU6 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ GPR6 P46095 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36

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
SCHEMBL23623259 0.91 TP53 (0.40) ROCK2ROCK1RIPK1LMNATP53
SCHEMBL23623285 0.91 ALOX15 (0.43) HSD17B13ROCK2ROCK1POLBRECQL
SCHEMBL23611716 0.90 KCNK3 (0.45) ROCK2ROCK1LMNATP53POLB
SCHEMBL29930594 0.90 KCNK3 (0.45) ROCK2ROCK1LMNATP53POLB
SCHEMBL23623494 0.88 NAMPT (0.41) NAMPTGPR6KCNH2GRIN2BLMNA
SCHEMBL23623581 0.87 POLB (0.47) HSD17B13ROCK2ROCK1TP53POLB
SCHEMBL23623264 0.86 ALOX15 (0.44) ROCK2ROCK1LMNATP53MAPT
SCHEMBL23623333 0.85 GPR6 (0.39) ROCK2ROCK1GPR6LMNATP53
SCHEMBL23623492 0.85 LMNA (0.45) ROCK2ROCK1KCNH2GRIN2BLMNA
SCHEMBL23623280 0.81 ALOX15 (0.47) ROCK2ROCK1TP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091590-A1 COMPOUNDS FOR USE IN TREATING GASTRIC CANCER BERG LLC (US) 2023-05-25 — — WO disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 — — US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 — — US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 — — US disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 — — 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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 NAMPT 3520/4885HSD17B13 840/4885GPBAR1 741/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 NAMPT 3520/4885HSD17B13 840/4885GPBAR1 741/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 NAMPT 3520/4885HSD17B13 840/4885GPBAR1 741/4885

“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.