SCHEMBL1944503

SCHEMBL1944503

COCCNc1nn2cc(-c3cccc(N(C)C)c3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 9/20 0.44
TP53 P04637 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 2/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1944177 0.88 MAP3K5 (0.45) F2RL3TP53SMN1; SMN2MAPTRAB9A
SCHEMBL1945076 0.86 FYN (0.45) F2RL3TP53SMN1; SMN2MAPTRAB9A
SCHEMBL1944433 0.85 F2RL3 (0.62) F2RL3TP53SMN1; SMN2MAPTRAB9A
SCHEMBL1943679 0.85 F2RL3 (0.62) F2RL3TP53SMN1; SMN2MAPTRAB9A
SCHEMBL1946058 0.85 FYN (0.49) F2RL3TP53RAB9AHSD17B10ALOX15
SCHEMBL1947874 0.85 F2RL3 (0.57) F2RL3TP53SMN1; SMN2MAPTRAB9A
SCHEMBL15603263 0.84 FYN (0.46) F2RL3TP53SMN1; SMN2MAPTRAB9A
SCHEMBL1945905 0.83 FYN (0.51) F2RL3TP53SMN1; SMN2MAPTRAB9A
SCHEMBL1947329 0.83 F2RL3 (0.44) F2RL3TP53SMN1; SMN2MAPTRAB9A
SCHEMBL1946651 0.83 F2RL3 (0.64) F2RL3TP53SMN1; SMN2MAPTKDM4E

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 237/4885SMN1; 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.