SCHEMBL2052844

SCHEMBL2052844

O=C(O)c1cnc2cc(Br)ccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 1/20 0.37
CSF1R P07333 1/20 0.37
TGFBR1 P36897 3/20 0.35
KDR P35968 2/20 0.35
KIT P10721 1/20 0.34
DDR1 Q08345 1/20 0.34
DDR2 Q16832 1/20 0.34
EPHB3 P54753 1/20 0.34
GLA P06280 2/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HPGD P15428 1/20 0.33
TGFBR2 P37173 1/20 0.33

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
SCHEMBL20986031 0.85 NPC1 (0.45) KDM4EALDH1A1GAAPKMNPC1
SCHEMBL2048286 0.81 RAB9A (0.42) KDM4EALDH1A1GAAPKMNPC1
SCHEMBL9941639 0.81 ALDH1A1 (0.44) KDM4EALDH1A1GAAPKMNPC1
SCHEMBL9753645 0.81 NPC1 (0.47) KDM4EALDH1A1GAAPKMNPC1
SCHEMBL14740159 0.80 KDM4E (0.66) KDM4EALDH1A1GAAPKMNPC1
SCHEMBL16370092 0.80 NPC1 (0.52) KDM4EALDH1A1GAAPKMNPC1
SCHEMBL14756581 0.80 KDM4E (0.43) KDM4EALDH1A1GAAPKMNPC1
SCHEMBL2051117 0.80 KDM4E (0.43) KDM4EALDH1A1GAAPKMNPC1
SCHEMBL14739771 0.80 KDM4E (0.54) KDM4EALDH1A1GAAPKMNPC1
SCHEMBL2051512 0.78 GAA (0.53) KDM4EALDH1A1GAANPC1RAB9A

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637426-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2026-05-26 US disclosed
CN-112707893-B 1-cyanopyrrolidine compounds as USP30 inhibitors 特殊治疗有限公司 2023-10-31 CN disclosed
US-20220251041-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-08-11 US disclosed
US-11390584-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2022-07-19 US disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3943490-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2022-01-26 EP disclosed
EP-3943490-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2022-01-26 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
EP-2516433-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1, 2-A]PYRIDINE-3- CARBOXAMIDE COMPOUNDS AS CFMS INHIBITORS Array Biopharma, Inc. (US) 2012-10-31 EP disclosed
US-20120258952-A1 Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors ARRAY BIOPHARMA INC. (US) 2012-10-11 US disclosed
US-20120258952-A1 Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors ARRAY BIOPHARMA INC. (US) 2012-10-11 US disclosed
US-20120258952-A1 Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors ARRAY BIOPHARMA INC. (US) 2012-10-11 US disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012082689-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-06-21 WO disclosed
WO-2011079076-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1, 2-A]PYRIDINE-3- CARBOXAMIDE COMPOUNDS AS CFMS INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-30 WO disclosed
WO-2011079076-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1, 2-A]PYRIDINE-3- CARBOXAMIDE COMPOUNDS AS CFMS INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-30 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 (5 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-20220251041-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 KDM4E 304/4885ALDH1A1 1264/4885GAA 2235/4885
US-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB KDM4E 721/4885ALDH1A1 1538/4885GAA 726/4885
US-12637426-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP1, USP10 KDM4E 627/4885ALDH1A1 1185/4885GAA 2633/4885
US-20120258952-A1 Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors AFF1, FLI1, F3 KDM4E 1410/4885ALDH1A1 1771/4885GAA 4338/4885
US-11390584-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 KDM4E 279/4885ALDH1A1 1220/4885GAA 2167/4885

“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.