SCHEMBL4930487

SCHEMBL4930487

COC(=O)c1[c]c(F)cnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 4/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
NTRK2 Q16620 1/20 0.35
AURKB Q96GD4 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 3/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 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
SCHEMBL4925745 0.81 CYP2C9 (0.45) ALDH1A1KDM4EL3MBTL1MAPK1TSHR
SCHEMBL4926803 0.79 ATM (0.46) ATMALDH1A1KDM4EGLAGAA
SCHEMBL4928794 0.79 HCAR2 (0.31)
SCHEMBL4922118 0.78 GAA (0.35) ALDH1A1KDM4EGAA
SCHEMBL4929123 0.78 ATM (0.41) ATMALDH1A1KDM4EGLAGAA
SCHEMBL4926770 0.75 ADORA3 (0.32) TSHR
SCHEMBL4917036 0.74 ALDH1A1 (0.32) ALDH1A1KDM4ETSHRMEN1HTT
SCHEMBL4390548 0.72 CA1 (0.44) ATMALDH1A1KDM4EMAPK1POLB
SCHEMBL3348369 0.68 ATM (0.46) ATMALDH1A1KDM4EGLAGAA
SCHEMBL12471243 0.68 ALDH1A1 (0.38) ATMALDH1A1KDM4EGLAGAA

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 8 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
CN-101080409-A 7-amino-6-hetaryl-1,2,4-triazolo[1,5-a]pyrimidine compounds and the use thereof for controlling pathogenic fungi BASF AG (DE) 2007-11-28 CN disclosed
CN-101080410-A 7-amino-6-heteroaryl-1, 2, 4-triazolo [1, 5-a ] pyrimidines and their use for controlling pathogenic fungi BASF AG (DE) 2007-11-28 CN 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 ATM 2847/4885ALDH1A1 1649/4885KDM4E 2146/4885
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 ATM 3846/4885ALDH1A1 2419/4885KDM4E 4114/4885

“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.