SCHEMBL586439

SCHEMBL586439

Cc1ncccc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ENPP2 Q13822 1/20 0.37
CYP2A6 P11509 1/20 0.35
PLAU P00749 1/20 0.35
RAB9A P51151 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
SCHEMBL29515564 1.00 P2RX7 (0.41) P2RX7L3MBTL1NPC1NOS3NOS1
Hydrochloric Acid SCHEMBL14797461 0.98 P2RX7 (0.40) P2RX7L3MBTL1NPC1NOS3NOS1
Hydrochloric Acid SCHEMBL29951575 0.98 P2RX7 (0.40) P2RX7L3MBTL1NPC1NOS3NOS1
SCHEMBL15533639 0.90 P2RX7 (0.36) P2RX7L3MBTL1NPC1NOS3NOS1
SCHEMBL31017039 0.85 P2RX7 (0.34) P2RX7L3MBTL1NPC1NOS3NOS1
SCHEMBL24331352 0.83 P2RX7 (0.37) P2RX7L3MBTL1NPC1NOS3NOS1
SCHEMBL7769970 0.81 L3MBTL1 (0.38) P2RX7L3MBTL1NPC1NOS3NOS1
SCHEMBL29823712 0.78 ENPP2 (0.38) L3MBTL1NPC1NOS3NOS1NOS2
SCHEMBL377104 0.78 ENPP2 (0.38) L3MBTL1NPC1NOS3NOS1NOS2
SCHEMBL29232877 0.76 ENPP2 (0.37) L3MBTL1NPC1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113860980-A Method for preparing arylamine compound by photoinduced reduction C-N coupling reaction 江苏科技大学 2021-12-31 CN claimed
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-05-07 US disclosed
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-12577227-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2026-03-17 US disclosed
EP-4703357-A1 TRIAZOLYL-CONTAINING COMPOUNDS Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2026-03-04 EP disclosed
EP-4703359-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-03-04 EP disclosed
US-20260042765-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORP (US) 2026-02-12 US disclosed
EP-4688161-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-02-11 EP disclosed
US-20260007680-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2026-01-08 US disclosed
US-12466815-B2 Carboxamide compounds and uses thereof INCYTE CORPORATION (US) 2025-11-11 US disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 WO disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
EP-1856058-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-11-21 EP disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113260-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
US-7176205-B2 Bi-pyridinyl derivatives as NK-1 antagonists HOFFMANN-LA ROCHE INC. (US) 2007-02-13 US disclosed
US-7176205-B2 Bi-pyridinyl derivatives as NK-1 antagonists HOFFMANN-LA ROCHE INC. (US) 2007-02-13 US disclosed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 WO disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 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 (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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 P2RX7 520/4885L3MBTL1 4431/4885NPC1 4272/4885
US-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 P2RX7 3976/4885L3MBTL1 2092/4885NPC1 945/4885
US-20260007680-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE7A, PDE4B P2RX7 530/4885L3MBTL1 3759/4885NPC1 2376/4885
US-20260042765-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS MAP2K2, TTK, MAP2K5 P2RX7 941/4885L3MBTL1 4184/4885NPC1 4002/4885
US-12577227-B2 WDR5 inhibitors and modulators WDR1, WDR5, WDR3 P2RX7 3471/4885L3MBTL1 1011/4885NPC1 910/4885
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 P2RX7 42/4885L3MBTL1 4549/4885NPC1 2356/4885
US-12466815-B2 Carboxamide compounds and uses thereof PCK1, PHKG2, PHKG1 P2RX7 2568/4885L3MBTL1 3347/4885NPC1 599/4885
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL6B P2RX7 4077/4885L3MBTL1 1165/4885NPC1 449/4885

“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.