SCHEMBL5095464

SCHEMBL5095464

CCc1nc2ncnn2c(O)c1CCCCC(F)=C(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 6/20 0.34
HTT P42858 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 3/20 0.33
MAPK1 P28482 3/20 0.33
CYP1A2 P05177 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.32
THRB P10828 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL5102637 0.88 MBOAT4 (0.41) HSD17B10
SCHEMBL5102717 0.88 HSD17B10 (0.37) HSD17B10L3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL5102818 0.77 MBOAT4 (0.50) HSD17B10
SCHEMBL19193508 0.74 ALDH1A1 (0.42) HSD17B10L3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL10493808 0.72 HSD17B10 (0.50) HSD17B10L3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL3318957 0.72 HTT (0.45) HSD17B10L3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL5197330 0.71 MEN1 (0.55) HSD17B10L3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL9770175 0.71 HSD17B10 (0.49) HSD17B10L3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL10493810 0.71 HSD17B10 (0.49) HSD17B10L3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL5593563 0.71 HTT (0.47) HSD17B10L3MBTL1ALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119493-A1 5,6-Dialkyl-7-Aminotriazolopyrimidines, their Preparation and their Use for Controlling Harmful Fungi, and Compositions Comprising these Compounds BASF AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
EP-1725563-A2 5,6-DIALKYL-7-AMINO-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-11-29 EP disclosed
WO-2005087770-A2 5,6-DIHYDROCARBYL-7-AMINO-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 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 (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-20080119493-A1 5,6-Dialkyl-7-Aminotriazolopyrimidines, their Preparation and their Use for Controlling Harmful Fungi, and Compositions Comprising these Compounds DPM1, ALKBH5, DERA HSD17B10 4605/4885L3MBTL1 322/4885ALDH1A1 1122/4885

“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.