SCHEMBL1946597

SCHEMBL1946597

Clc1ccc(-c2cn3nc(NCCc4ccncc4)sc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
TP53 P04637 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
FYN P06241 6/20 0.51
F2RL3 Q96RI0 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44

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 0.93 FYN (0.58) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL1944643 0.90 TP53 (0.53) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL1946575 0.88 F2RL3 (0.52) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL1944821 0.88 FYN (0.48) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL1943668 0.87 FYN (0.46) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL1946545 0.86 F2RL3 (0.52) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL1945450 0.84 FYN (0.52) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL1944600 0.84 FYN (0.52) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL1946118 0.84 FYN (0.48) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL1943789 0.83 CA2 (0.69) FYNCA12CA1CA2CA9

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 MAPT 4021/4885TP53 237/4885SMN1; 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.