SCHEMBL4022995

SCHEMBL4022995

C=Cc1cncc(CC)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
PTGS2 P35354 1/20 0.36
GRM5 P41594 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7110731 0.81 TDP1 (0.40) HDAC8PTGS2GRM5CHRNB2CHRNA4
SCHEMBL27849413 0.79 ROCK2 (0.40) PTGS2CHRNB2
SCHEMBL4906652 0.79 ALDH1A1 (0.37) SMYD3CHRNB2CHRNA4MAPTHTT
SCHEMBL29955560 0.79 ALDH1A1 (0.37) SMYD3CHRNB2CHRNA4MAPTHTT
SCHEMBL240843 0.77 SMYD3 (0.39) SMYD3CHRNB2CHRNA4MAPTHTT
SCHEMBL6551393 0.77 HDAC8 (0.46) HDAC8PTGS2GRM5ALDH1A1
SCHEMBL420700 0.75 ALDH1A1 (0.36) HDAC8PTGS2ALDH1A1
SCHEMBL9000622 0.75 ROCK2 (0.34) PTGS2SMYD3CHRNB2CHRNA4
SCHEMBL6774970 0.73 NAPRT (0.44) PTGS2MAPTHTTALDH1A1
SCHEMBL20314431 0.73 CYP11B1 (0.48) GRM5CHRNB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4211824-A CONJUGATED DIENE-VINYL NITROGEN HETEROCYCLE INTERPOLYMER ADHESIVE HONNY CHEMICALS COMPANY, LTD. (JP) 1980-07-08 US claimed
US-4157429-A Amine terminated polymers and the formation of block copolymers THE FIRESTONE TIRE & RUBBER COMPANY (US) 1979-06-05 US claimed
US-4157430-A Amine terminated polymers and the formation of block copolymers THE FIRESTONE TIRE & RUBBER COMPANY (US) 1979-06-05 US claimed
US-4155947-A Amine terminated polymers and the formation of blocked copolymers THE FIRESTONE TIRE & RUBBER COMPANY (US) 1979-05-22 US claimed
US-4155948-A Amine terminated polymers and the formation of blocked copolymers THE FIRESTONE TIRE & RUBBER COMPANY (US) 1979-05-22 US claimed
US-4154772-A PHENOLIC RESIN CONNECTED TO ADDITION POLYMER THE FIRESTONE TIRE & RUBBER COMPANY (US) 1979-05-15 US claimed
US-4154773-A UREA-ALDEHYDE POLYMER COUPLED TO ADDITION POLYMER THE FIRESTONE TIRE & RUBBER COMPANY (US) 1979-05-15 US claimed
US-4154913-A ADDITION POLYMER ENDCAPPED WITH POLYISOCYANATE THE FIRESTONE TIRE & RUBBER COMPANY (US) 1979-05-15 US claimed
US-4096009-A METAL DEPOSITION, VINYL PYRIDINE COPOLYMERS HONNY CHEMICALS COMPANY, LTD. (JA) 1978-06-20 US claimed
US-4070344-A WITH POLYISOCYANATE, AMIDE, HYDROLYSIS THE FIRESTONE TIRE AND RUBBER COMPANY (US) 1978-01-24 US claimed
US-4049875-A Bonding rubber to ferrous metal through a deposit of copper and adhesive and laminate therefrom HONNY CHEMICALS COMPANY, LTD. (JA) 1977-09-20 US claimed
US-3998992-A DIENE INTERPOLYMER ADHESIVE HONNY CHEMICALS CO., LTD. (JA) 1976-12-21 US claimed
US-3993847-A RUBBER BONDED TO FERROUS METAL, INTERPOLYMER OF CONJUGATED DIENE AND HETEROCYCLIC NITROGEN BASE HONNY CHEMICALS COMPANY, LTD. (JA) 1976-11-23 US claimed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
CN-100562529-C Curable sealant composition BRIDGESTONE CORP (JP) 2009-11-25 CN disclosed
US-7608664-B2 Curable sealant composition and method for manufacturing same BRIDGESTONE CORPORATION (JP) 2009-10-27 US disclosed
US-3993847-A RUBBER BONDED TO FERROUS METAL, INTERPOLYMER OF CONJUGATED DIENE AND HETEROCYCLIC NITROGEN BASE HONNY CHEMICALS COMPANY, LTD. (JA) 1976-11-23 US disclosed
US-3977923-A Method and solid propellant with unsaturated aziridine cured binder THE GENERAL TIRE & RUBBER COMPANY (US) 1976-08-31 US disclosed
US-3940353-A Pigment dispersions and lacquers containing copolymer of isobornyl methacrylate ROHM AND HAAS COMPANY (US) 1976-02-24 US disclosed
US-RE28682-E Decorative laminate ROHM & HAAS COMPANY (US) 1976-01-13 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 (1 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-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 HDAC8 3907/4885PTGS2 632/4885GRM5 310/4885

“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.