SCHEMBL4930680

SCHEMBL4930680

Cc1[c]ncc(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 7/20 0.42
PARP1 P09874 1/20 0.38
LMNA P02545 1/20 0.37
RAF1 P04049 1/20 0.36
PKMYT1 Q99640 1/20 0.36
HPGDS O60760 1/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
SARM1 Q6SZW1 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
SIRT4 Q9Y6E7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MKNK1 Q9BUB5 3/20 0.34
MKNK2 Q9HBH9 3/20 0.34
PARP10 Q53GL7 1/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL4923797 0.82 CA5A (0.37) LMNASMN1; SMN2MKNK1MKNK2CYP11B1
SCHEMBL3706563 0.82 HCAR2 (0.48) LMNASMN1; SMN2
SCHEMBL4925662 0.80 SMN1; SMN2 (0.35) LMNASMN1; SMN2
SCHEMBL4928977 0.77 ALDH1A1 (0.36) LMNASMN1; SMN2
SCHEMBL3718350 0.77 ATM (0.53) LMNAPSMD14
SCHEMBL1499253 0.76 NNMT (0.39) NNMTPARP1HPGDSF7F3
SCHEMBL1035373 0.76 NNMT (0.39) NNMTPARP1LMNAHPGDSF7
SCHEMBL4927199 0.74 CYP2C9 (0.54) LMNASMN1; SMN2
SCHEMBL5032411 0.72 NNMT (0.36) NNMTPARP1F7F3SARM1
SCHEMBL1971878 0.72 PARP1 (0.45) PARP1SMN1; SMN2PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 NNMT 1529/4885PARP1 374/4885LMNA 2966/4885
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 NNMT 4254/4885PARP1 2348/4885LMNA 961/4885

“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.