SCHEMBL8220180

SCHEMBL8220180

CCCc1ccc2[nH]ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.54
GSK3B P49841 4/20 0.54
PIM1 P11309 3/20 0.54
ROCK1 Q13464 3/20 0.54
JAK2 O60674 2/20 0.54
CDK5 Q00535 2/20 0.54
DYRK1A Q13627 2/20 0.54
AURKB Q96GD4 2/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
CHEK2 O96017 1/20 0.54
CDK2 P24941 1/20 0.54
MARK3 P27448 1/20 0.54
GSK3A P49840 1/20 0.54
LIMK1 P53667 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54
NOS1 P29475 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
METAP2 P50579 1/20 0.50

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
SCHEMBL9223010 0.90 ROCK2 (0.50) ROCK2GSK3BPIM1ROCK1JAK2
SCHEMBL8666610 0.89 NOS1 (0.57) ROCK2GSK3BPIM1ROCK1JAK2
SCHEMBL14402704 0.88 GRIN2B (0.48) ROCK2GSK3BPIM1ROCK1JAK2
SCHEMBL28495876 0.87 GRIN2B (0.47) ROCK2GSK3BPIM1ROCK1JAK2
SCHEMBL9228354 0.87 GRIN2B (0.47) ROCK2GSK3BPIM1ROCK1JAK2
SCHEMBL9228890 0.86 MAPT (0.50) ROCK2GSK3BPIM1ROCK1JAK2
SCHEMBL764032 0.85 CDC7 (0.55) ROCK2GSK3BPIM1ROCK1JAK2
SCHEMBL27885403 0.82 MAPK1 (0.51) ROCK2GSK3BPIM1ROCK1JAK2
SCHEMBL27995718 0.82 NOS1 (0.55) ROCK2GSK3BPIM1ROCK1JAK2
SCHEMBL27998026 0.82 MAPK1 (0.56) ROCK2GSK3BPIM1ROCK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO claimed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-10034879-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-07-31 US disclosed
US-20180117040-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2018-05-03 US disclosed
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO disclosed
EP-2970224-B1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2017-09-06 EP disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-5376152-A Heterocyclic nitrogen compound mannich base derivatives of polyolefin-substituted amines for oleaginous compositions EXXON CHEMICAL PATENTS INC. (US) 1994-12-27 US disclosed
EP-0518949-B1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC (US) 1994-06-22 EP disclosed
US-5273671-A Reaction product of ethylene/alpha-olefin copolymer, polyamine, aldehyde and a benzotriazole or benzimidazole EXXON CHEMICAL PATENTS INC. (US) 1993-12-28 US disclosed
US-5271856-A Heterocyclic nitrogen compound Mannich base derivatives of amino-substituted polymers for oleaginous compositions EXXON CHEMICAL PATENTS INC. (US) 1993-12-21 US disclosed
US-5232615-A Reacting an amine with halogenated polyolefin to form adduct and contacting adduct with an aldehyde and a heterocyclic reactant to form an oil soluble, oxidation resistance dispersant for fuels EXXON CHEMICAL PATENTS INC. (US) 1993-08-03 US disclosed
US-5211865-A Oil soluble ethylene copolymer with alpha-olefin and grafted carboxylic acid and anhydride with polyamine, an anhydride and heterocycle EXXON CHEMICAL PATENTS INC. (US) 1993-05-18 US disclosed
EP-0520012-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789). EXXON CHEMICAL PATENTS INC (US) 1992-12-30 EP disclosed
EP-0518949-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS. EXXON CHEMICAL PATENTS INC (US) 1992-12-23 EP disclosed
WO-1991013952-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789) EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 WO disclosed
WO-1991013954-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 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 (4 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP ROCK2 2433/4885GSK3B 1401/4885PIM1 1329/4885
US-10034879-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB ROCK2 2039/4885GSK3B 1432/4885PIM1 984/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 ROCK2 4478/4885GSK3B 2563/4885PIM1 3270/4885
US-20180117040-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ROCK2 2039/4885GSK3B 1432/4885PIM1 984/4885

“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.