SCHEMBL1947726

SCHEMBL1947726

CC(C)CNc1nn2cc(-c3ccc(C#N)cc3)nc2s1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 5/20 0.59
TP53 P04637 11/20 0.49
MAPT P10636 7/20 0.49
MKNK1 Q9BUB5 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
FYN P06241 1/20 0.40
GAA P10253 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
SCHEMBL1946837 0.85 MKNK1 (0.57) F2RL3TP53MAPTMKNK1SMN1; SMN2
SCHEMBL1945531 0.85 SMN1; SMN2 (0.58) F2RL3TP53MAPTMKNK1SMN1; SMN2
SCHEMBL1944153 0.84 TP53 (0.49) F2RL3TP53MAPTMKNK1SMN1; SMN2
SCHEMBL1945075 0.84 TP53 (0.49) F2RL3TP53MAPTMKNK1SMN1; SMN2
SCHEMBL1946398 0.82 TP53 (0.49) F2RL3TP53MAPTMKNK1SMN1; SMN2
SCHEMBL1947813 0.82 F2RL3 (0.63) F2RL3TP53MAPTSMN1; SMN2NPC1
SCHEMBL1944117 0.81 TP53 (0.46) F2RL3TP53MAPTMKNK1SMN1; SMN2
SCHEMBL1944613 0.81 F2RL3 (0.55) F2RL3TP53MAPTMKNK1SMN1; SMN2
SCHEMBL1947270 0.81 F2RL3 (0.55) F2RL3TP53MAPTMKNK1SMN1; SMN2
SCHEMBL15603227 0.81 F2RL3 (0.55) F2RL3TP53MAPTSMN1; SMN2NPC1

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 F2RL3 1121/4885TP53 237/4885MAPT 4021/4885

“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.