SCHEMBL6068253

SCHEMBL6068253

Oc1nc2ncnn2c(O)c1-c1c(F)cc(C=S)cc1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 2/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL3277090 0.85 MAPK1 (0.39) ALDH1A1MAPK1ALOX15TSHRKDM4E
SCHEMBL14108156 0.82 KDM4E (0.43) ALDH1A1MAPK1ALOX15TSHRKDM4E
SCHEMBL6186514 0.79 SMN1; SMN2 (0.41) ALDH1A1MAPK1ALOX15TSHRKDM4E
SCHEMBL6068255 0.79 ALDH1A1 (0.32) ALDH1A1MAPK1ALOX15TSHRKDM4E
SCHEMBL23925377 0.78 EGLN2 (0.47) ALDH1A1
SCHEMBL6068158 0.76 ALDH1A1 (0.36) ALDH1A1MAPK1ALOX15TSHRKDM4E
SCHEMBL7493866 0.75 KDM4E (0.35) ALDH1A1MAPK1ALOX15TSHRKDM4E
SCHEMBL4265487 0.75 EGLN2 (0.36) ALDH1A1MAPK1ALOX15TSHRKDM4E
SCHEMBL14270922 0.74 EGLN2 (0.44) ALDH1A1MAPK1TSHRKDM4E
SCHEMBL3426730 0.72 MAPK1 (0.36) ALDH1A1MAPK1ALOX15TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148227-B2 Fungicidal triazolopyrimidines, methods for producing the same, use thereof for combating harmful fungi and agents containing said substances BASF AKTIENGESELLSCHAFT (DE) 2006-12-12 US disclosed
US-20050176736-A1 Fungicidal triazolopyrimidines, methods for producing the same, use thereof for combating harmful fungi and agents containing said substances BASF AKTIENGESELLSCHAFT (DE) 2005-08-11 US disclosed
EP-1490372-A1 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHODS FOR PRODUCING THE SAME, USE THEREOF FOR COMBATING HARMFUL FUNGI AND AGENTS CONTAINING SAID SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2004-12-29 EP disclosed
WO-2003080615-A1 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHODS FOR PRODUCING THE SAME, USE THEREOF FOR COMBATING HARMFUL FUNGI AND AGENTS CONTAINING SAID SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2003-10-02 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-20050176736-A1 Fungicidal triazolopyrimidines, methods for producing the same, use thereof for combating harmful fungi and agents containing said substances CBR1, CBR3, HAO1 ALDH1A1 89/4885MAPK1 1240/4885ALOX15 669/4885

“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.