SCHEMBL1944472

SCHEMBL1944472

Clc1ccc(-c2cn3nc(NCc4cccnc4)sc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.64
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 4/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
F2RL3 Q96RI0 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1947763 0.91 FYN (0.56) FYNSMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL1944858 0.90 FYN (0.54) FYNSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL2253531 0.89 CCNE1 (0.51) FYNSMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL1945365 0.89 FYN (0.50) FYNSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL1947245 0.88 FYN (0.52) FYNSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL1945460 0.88 TP53 (0.54) FYNSMN1; SMN2KDM4ELMNATP53
SCHEMBL1947713 0.85 CYP1A2 (0.51) FYNSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL1943954 0.85 PIM1 (0.50) FYNSMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL1946641 0.85 FYN (0.48) FYNSMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL1944440 0.84 FYN (0.62) FYNSMN1; SMN2KDM4EALDH1A1LMNA

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 1977/4885SMN1; SMN2 4370/4885KDM4E 2685/4885

“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.