SCHEMBL4926679

SCHEMBL4926679

Cc1[c]c(C(N)=O)cnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
MKNK1 Q9BUB5 3/20 0.32
MKNK2 Q9HBH9 3/20 0.32
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
SARM1 Q6SZW1 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
SIRT4 Q9Y6E7 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
RAF1 P04049 1/20 0.31
PKMYT1 Q99640 1/20 0.31

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
SCHEMBL4922480 0.81 HCAR2 (0.32) HCAR2
SCHEMBL4926803 0.76 ATM (0.46) TDP1TSHR
SCHEMBL4932183 0.76 HTT (0.31)
SCHEMBL4928218 0.76 RAF1 (0.34) MKNK1MKNK2RAF1
SCHEMBL4926770 0.75 ADORA3 (0.32) SIRT3ADORA3TSHRMC4RADRA1A
SCHEMBL4926875 0.75 MKNK1 (0.36) SIRT3ADORA3TSHRMC4RADRA1A
SCHEMBL4921303 0.73 CYP2C9 (0.47) TSHR
SCHEMBL427680 0.71
SCHEMBL11534820 0.68 PARP1 (0.36) NNMT
SCHEMBL7255222 0.65 SIRT3 (0.36) SIRT3TDP1ADORA3TSHRMC4R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169090-B1 FOR INHIBITION OF PHOSPHODIESTERASE IV DARWIN DISCOVERY, LTD. (GB) 2001-01-02 US claimed
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (2 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-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 SIRT3 4429/4885TDP1 50/4885ADORA3 408/4885
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi CYP8B1, CBR3, HDHD5 SIRT3 3736/4885TDP1 1614/4885ADORA3 233/4885

“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.