SCHEMBL5102818

SCHEMBL5102818

Cc1nc2ncnn2c(N)c1CCCCC(F)=C(F)F

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 19/20 0.50
▸ HSD17B10 Q99714 1/20 0.47

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 0.87 MBOAT4 (0.41) MBOAT4HSD17B10
SCHEMBL10636531 0.80 MBOAT4 (0.52) MBOAT4
SCHEMBL230425 0.80 MBOAT4 (0.52) MBOAT4
SCHEMBL10627812 0.80 MBOAT4 (0.54) MBOAT4HSD17B10
SCHEMBL3002411 0.78 MBOAT4 (0.53) MBOAT4
SCHEMBL5108625 0.77 MBOAT4 (0.49) MBOAT4
SCHEMBL21222854 0.77 MBOAT4 (0.56) MBOAT4HSD17B10
SCHEMBL5095464 0.77 HSD17B10 (0.38) HSD17B10
SCHEMBL4888449 0.76 KDM4E (0.39) HSD17B10
SCHEMBL5102717 0.75 HSD17B10 (0.37) HSD17B10

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 claimed
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 claimed
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 claimed

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 MBOAT4 4864/4885HSD17B10 4605/4885

“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.

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