SCHEMBL1946255

SCHEMBL1946255

OCc1ccccc1-c1cn2nc(NCc3cccnc3)sc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.45
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
JAK2 O60674 1/20 0.39
PTK2 Q05397 1/20 0.39
PKM P14618 2/20 0.39
EGFR P00533 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL1944473 0.90 ADORA2A (0.45) FYNKMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL1945777 0.89 FYN (0.42) FYNUSP1WDR48SMN1; SMN2EPHX1
SCHEMBL1947713 0.86 CYP1A2 (0.51) FYNPTGS1PTGS2KMT2ARAB9A
SCHEMBL1943903 0.84 MAPT (0.41) FYNMAPT
SCHEMBL1947763 0.83 FYN (0.56) FYNPTGS1PTGS2POLBRAB9A
SCHEMBL1945333 0.81 FYN (0.44) FYNKMT2APOLBRAB9ASMN1; SMN2
SCHEMBL1943682 0.81 FYN (0.50) FYNKMT2APOLBRAB9AMAPT
SCHEMBL1944412 0.81 FYN (0.44) FYNHTTRAB9ASMN1; SMN2KDM4E
SCHEMBL1943954 0.80 PIM1 (0.50) FYNPTGS1PTGS2POLBRAB9A
SCHEMBL1946254 0.80 FYN (0.67) FYN

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
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 US 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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R FYN 1977/4885PTGS1 223/4885PTGS2 565/4885

“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.