SCHEMBL1946015

SCHEMBL1946015

c1ccc(CNc2nn3cc(-c4ccccc4)nc3s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.61
SMN1; SMN2 Q16637 7/20 0.57
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALOX15 P16050 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
PKM P14618 2/20 0.56
RECQL P46063 1/20 0.56
F2RL3 Q96RI0 3/20 0.52
MAPT P10636 7/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50

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
SCHEMBL1945445 0.92 TP53 (0.56) TP53SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1944422 0.92 TP53 (0.52) TP53SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1945460 0.92 TP53 (0.54) TP53SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1944453 0.91 TP53 (0.51) TP53SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL15603227 0.89 F2RL3 (0.55) TP53SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1944402 0.89 TP53 (0.49) TP53SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1944440 0.89 FYN (0.62) TP53SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1947763 0.89 FYN (0.56) TP53SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1945297 0.88 F2RL3 (0.56) TP53SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1946805 0.88 RAB9A (0.53) TP53SMN1; SMN2RAB9ANPC1KDM4E

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

“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.