SCHEMBL1946805

SCHEMBL1946805

CN(C)c1ccc(CNc2nn3cc(-c4ccccc4)nc3s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 8/20 0.51
SMN1; SMN2 Q16637 8/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ALOX15 P16050 2/20 0.50
PKM P14618 2/20 0.50
RECQL P46063 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPT P10636 8/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
F2RL3 Q96RI0 1/20 0.47

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
SCHEMBL1946623 0.90 RAB9A (0.47) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1946440 0.90 MAPT (0.52) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1945473 0.89 RAB9A (0.49) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1943569 0.89 FYN (0.48) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1946015 0.88 TP53 (0.61) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1948061 0.88 FYN (0.48) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1947659 0.88 RAB9A (0.45) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1944164 0.88 F2RL3 (0.53) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1944019 0.88 F2RL3 (0.53) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1948048 0.87 F2RL3 (0.53) RAB9ANPC1MEN1KMT2ATP53

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 RAB9A 2542/4885NPC1 3811/4885MEN1 1619/4885

“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.