SCHEMBL1944402

SCHEMBL1944402

CC(C)c1ccc(-c2cn3nc(NCc4ccccc4)sc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 6/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 8/20 0.48
ALOX15 P16050 2/20 0.48
PKM P14618 2/20 0.48
RECQL P46063 1/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
F2RL3 Q96RI0 2/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL1944775 0.90 FYN (0.46) TP53RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1946015 0.89 TP53 (0.61) TP53RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1944913 0.89 F2RL3 (0.50) TP53RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1945365 0.88 FYN (0.50) TP53RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1945460 0.87 TP53 (0.54) TP53RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1947659 0.87 RAB9A (0.45) TP53RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1944422 0.85 TP53 (0.52) TP53RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1944453 0.84 TP53 (0.51) TP53RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1944153 0.83 TP53 (0.49) TP53RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1945445 0.82 TP53 (0.56) TP53RAB9ASMN1; SMN2NPC1KDM4E

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 TP53 237/4885RAB9A 2542/4885SMN1; SMN2 4370/4885

“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.