SCHEMBL5445684

SCHEMBL5445684

Cc1nc2ncnn2c(O)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
ENPP1 P22413 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5445676 0.86 ALDH1A1 (0.42) MAPK1ALDH1A1TSHRKMT2APOLB
SCHEMBL5096432 0.85 ALDH1A1 (0.47) MAPK1ALDH1A1TSHRKMT2APOLB
SCHEMBL3277090 0.85 MAPK1 (0.39) MAPK1ALDH1A1TSHRKMT2APOLB
SCHEMBL14410610 0.85 KDM4E (0.50) MAPK1ALDH1A1TSHRKMT2APOLB
SCHEMBL14503818 0.84 ALDH1A1 (0.40) MAPK1ALDH1A1TSHRKMT2APOLB
SCHEMBL5443361 0.83 MAPK1 (0.45) MAPK1ALDH1A1TSHRKMT2APOLB
SCHEMBL14489594 0.83 MAPK1 (0.45) MAPK1ALDH1A1TSHRKMT2APOLB
SCHEMBL5433238 0.83 ALDH1A1 (0.45) MAPK1ALDH1A1TSHRKMT2APOLB
SCHEMBL14491952 0.82 ALDH1A1 (0.42) MAPK1ALDH1A1TSHRKMT2APOLB
SCHEMBL14108156 0.80 KDM4E (0.43) MAPK1ALDH1A1TSHRKMT2APOLB

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-20070208038-A1 6-(2-Fluorophenyl)-Triazolopyrimidines, Method for Producing Them, Their use for Controlling Parasitic Fungi and Agents Containing the Same BASF AKTIENGESELLSCHAFT (DE) 2007-09-06 US claimed
US-20070208038-A1 6-(2-Fluorophenyl)-Triazolopyrimidines, Method for Producing Them, Their use for Controlling Parasitic Fungi and Agents Containing the Same BASF AKTIENGESELLSCHAFT (DE) 2007-09-06 US disclosed
EP-1732927-A2 6-(2-FLUOROPHENYL)-TRIAZOLOPYRIMIDINES, METHOD FOR PRODUCING THEM, THEIR USE FOR CONTROLLING PARASITIC FUNGI AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-12-20 EP disclosed
WO-2005095404-A2 6-(2-FLUOROPHENYL)-TRIAZOLOPYRIMIDINES, METHOD FOR PRODUCING THEM, THEIR USE FOR CONTROLLING PARASITIC FUNGI AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2005-10-13 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-20070208038-A1 6-(2-Fluorophenyl)-Triazolopyrimidines, Method for Producing Them, Their use for Controlling Parasitic Fungi and Agents Containing the Same CBR1, CBR3, DPM1 MAPK1 1212/4885ALDH1A1 1276/4885TSHR 2092/4885

“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.