Sugi Predict

Sugi Predict / Compounds / SCHEMBL1786764

SCHEMBL1786764

SCHEMBL1786764

CC(C)c1n[nH]c(=O)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.68
▸ TSHR P16473 1/20 0.59
▸ ATM Q13315 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ PRMT5 O14744 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ AR P10275 4/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL29480990 1.00 POLB (0.68) POLBTSHRATMNPSR1SMN1; SMN2
SCHEMBL13265509 0.82 POLB (0.65) POLBTSHRATMNPSR1SMN1; SMN2
SCHEMBL30319341 0.82 POLB (0.60) POLBTSHRATMNPSR1SMN1; SMN2
SCHEMBL13721278 0.81 POLB (1.00) POLBTSHRATMNPSR1SMN1; SMN2
SCHEMBL22552378 0.81 POLB (0.59) POLBTSHRATMNPSR1SMN1; SMN2
SCHEMBL18237348 0.79 POLB (0.45) POLBTSHRSMN1; SMN2CYP1A2PRMT5
SCHEMBL18237493 0.79 POLB (0.45) POLBTSHRSMN1; SMN2CYP1A2PRMT5
SCHEMBL29841174 0.79 POLB (0.56) POLBTSHRATMNPSR1SMN1; SMN2
SCHEMBL6607672 0.79 POLB (0.56) POLBTSHRATMNPSR1SMN1; SMN2
SCHEMBL24076266 0.78 POLB (0.44) POLBTSHRNPSR1SMN1; SMN2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780821-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2023-10-10 — — US disclosed
US-11780821-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2023-10-10 — — US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 — — US disclosed
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2022-11-22 — — US disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 — — US disclosed
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 — — US disclosed
EP-3481816-B1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-24 — — EP disclosed
US-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-03 — — US disclosed
US-20190185451-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC 2019-06-20 — — US disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 — — US disclosed
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
WO-2017106568-A1 COMBINATION OF A JAK INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. (US) 2017-06-22 — — WO disclosed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — 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 (10 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-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS MYLK, ROCK1, ROCK2 POLB 3510/4885TSHR 2309/4885ATM 510/4885
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD POLB 621/4885TSHR 4034/4885ATM 1990/4885
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 POLB 626/4885TSHR 4060/4885ATM 1277/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD POLB 621/4885TSHR 4034/4885ATM 1990/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD POLB 621/4885TSHR 4034/4885ATM 1990/4885
US-20190185451-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN FAP, FIBP, FRS2 POLB 2414/4885TSHR 4609/4885ATM 2025/4885
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 POLB 4381/4885TSHR 1471/4885ATM 3548/4885
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors MYLK, ROCK1, MYLK2 POLB 3390/4885TSHR 2273/4885ATM 496/4885
US-11780821-B2 Inhibitors of fibroblast activation protein FAP, FIBP, FRS2 POLB 2414/4885TSHR 4609/4885ATM 2025/4885
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 POLB 4459/4885TSHR 1625/4885ATM 1521/4885

“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.