SCHEMBL16225239

SCHEMBL16225239

COc1nccc(C)c1B(O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
ENPP2 Q13822 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 1/20 0.32
APLNR P35414 1/20 0.32
AURKA O14965 1/20 0.31
TTK P33981 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
DYRK1A Q13627 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL29951146 1.00 CCR1 (0.33) CCR1CCR5CCR8NOS3NOS2
SCHEMBL16225784 0.81 HPGD (0.43) NOS3NOS2ALDH1A1MAPT
SCHEMBL29956414 0.81 HPGD (0.43) NOS3NOS2ALDH1A1MAPT
SCHEMBL29956241 0.81 ENPP2 (0.39) ENPP2CA1CA2GAAORAI1
SCHEMBL5039573 0.81 ENPP2 (0.39) ENPP2CA1CA2GAAORAI1
SCHEMBL29950703 0.79 NFE2L2 (0.33) CCR1CCR5CCR8ENPP2CA1
SCHEMBL16110848 0.75 CCR1 (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL29954504 0.75 CCR1 (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL26361648 0.75 MAOA (0.41) CCR1CCR5CCR8NOS3NOS2
SCHEMBL29954528 0.75 ALDH1A1 (0.36) GAAAPLNRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343741-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS H. LUNDBECK A/S (DK) 2024-10-17 US disclosed
US-11958865-B1 Leucine-rich repeat kinase 2 (LRRK2) inhibitors H. LUNDBECK A/S (DK) 2024-04-16 US disclosed
WO-2024056775-A1 MACROCYCLIC LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS H. LUNDBECK A/S (DK) 2024-03-21 WO disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 US disclosed
US-20210115049-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2021-04-22 US disclosed
WO-2020132269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2020-06-25 WO disclosed
EP-2994469-B1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2018-12-19 EP disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20160075695-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2016-03-17 US disclosed
EP-2994469-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS Gilead Sciences, Inc. (US) 2016-03-16 EP disclosed
WO-2015051043-A1 BIARYL ACYL-SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2015-04-09 WO disclosed
WO-2015051043-A1 BIARYL ACYL-SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2015-04-09 WO disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
WO-2014182929-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 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 (8 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-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 CCR1 3631/4885CCR5 4716/4885CCR8 4386/4885
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors SCN1A, SCN1B, SCN5A CCR1 4557/4885CCR5 3897/4885CCR8 4597/4885
US-20210115049-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 CCR1 3631/4885CCR5 4716/4885CCR8 4386/4885
US-20240343741-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS LRRK2, PARK7, PINK1 CCR1 4626/4885CCR5 3192/4885CCR8 4645/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 CCR1 3631/4885CCR5 4716/4885CCR8 4386/4885
US-11958865-B1 Leucine-rich repeat kinase 2 (LRRK2) inhibitors LRRK2, PARK7, PINK1 CCR1 4626/4885CCR5 3192/4885CCR8 4645/4885
US-20160075695-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CCR1 2326/4885CCR5 2322/4885CCR8 2919/4885
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CCR1 2327/4885CCR5 2376/4885CCR8 2907/4885

“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.