SCHEMBL1944600

SCHEMBL1944600

c1cc(CCNc2nn3cc(-c4ccsc4)nc3s2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.52
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TP53 P04637 6/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 6/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL1945484 0.91 FYN (0.58) FYNKDM4EGAAHTTTP53
SCHEMBL1944359 0.89 FYN (0.50) FYNKDM4ECYP17A1CYP11B1CYP11B2
SCHEMBL1944643 0.85 TP53 (0.53) FYNKDM4EGAAHTTTP53
SCHEMBL1946597 0.84 MAPT (0.51) FYNKDM4EGAAHTTTP53
SCHEMBL1945450 0.83 FYN (0.52) FYNKDM4EGAAHTTTP53
SCHEMBL1944451 0.82 CHRNA7 (0.39) FYNKDM4EHTTTP53MAPT
SCHEMBL1946545 0.82 F2RL3 (0.52) FYNKDM4EGAAHTTTP53
SCHEMBL1946118 0.82 FYN (0.48) FYNKDM4EGAAHTTTP53
SCHEMBL1944821 0.82 FYN (0.48) FYNKDM4EGAAHTTTP53
SCHEMBL1946840 0.81 FYN (0.47) FYNKDM4EGAAHTTCYP17A1

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 1977/4885KDM4E 2685/4885GAA 4051/4885

“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.