SCHEMBL1945505

SCHEMBL1945505

COc1ccc(-c2cn3nc(NCc4ccc(N(C)C)cc4)sc3n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.51
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 4/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.39
F2RL3 Q96RI0 6/20 0.39
TP53 P04637 1/20 0.39
HDAC1 Q13547 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
SCHEMBL1946444 0.89 FYN (0.53) FYNMAPTTHRBF2RL3TP53
SCHEMBL1946857 0.88 FYN (0.52) FYNMEN1KMT2AMAPTTHRB
SCHEMBL1945417 0.88 RAD52 (0.42) FYNNPC1RAB9AMEN1KMT2A
SCHEMBL2253417 0.88 FYN (0.54) FYNNPC1RAB9APKMSMN1; SMN2
SCHEMBL1943151 0.87 FYN (0.67) FYNF2RL3HDAC1
SCHEMBL2253541 0.85 FYN (0.59) FYNF2RL3
SCHEMBL1947014 0.83 FYN (0.48) FYNNPC1RAB9AMEN1KMT2A
SCHEMBL1945066 0.83 FYN (0.56) FYNNPC1RAB9AMEN1KMT2A
SCHEMBL1945244 0.83 FYN (0.68) FYNRAB9ASMN1; SMN2TDP1F2RL3
SCHEMBL1946805 0.83 RAB9A (0.53) FYNNPC1RAB9AMEN1KMT2A

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 FYN 1977/4885NPC1 3811/4885RAB9A 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.