SCHEMBL1944732

SCHEMBL1944732

c1cncc(-c2cn3nc(NCC4CC4)sc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.55
MKNK1 Q9BUB5 1/20 0.49
VCP P55072 2/20 0.47
PDE5A O76074 2/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 3/20 0.40
ALOX15 P16050 2/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
GBA1 P04062 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KCNH2 Q12809 1/20 0.38
ATM Q13315 1/20 0.38
ATR Q13535 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
SCHEMBL1945204 0.93 FYN (0.66) FYNMKNK1VCPPDE5AKCNH2
SCHEMBL1944253 0.87 TP53 (0.53) FYNMKNK1VCPNPC1RAB9A
SCHEMBL2251631 0.86 MKNK1 (0.59) FYNMKNK1VCPNPC1RAB9A
SCHEMBL1944318 0.81 MKNK1 (0.45) FYNMKNK1NPC1RAB9ASMN1; SMN2
SCHEMBL1947246 0.81 F2RL3 (0.55) FYNMKNK1VCPNPC1RAB9A
SCHEMBL1944647 0.81 F2RL3 (0.55) FYNMKNK1VCPNPC1RAB9A
SCHEMBL1946517 0.81 FYN (0.66) FYNMKNK1VCPKCNH2
SCHEMBL2250766 0.81 FYN (0.53) FYNMKNK1VCPNPC1RAB9A
SCHEMBL1948278 0.81 MKNK1 (0.49) FYNMKNK1NPC1RAB9ASMN1; SMN2
SCHEMBL1944440 0.81 FYN (0.62) FYNNPC1RAB9ASMN1; SMN2KDM4E

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 7 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-2193133-B1 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-19 EP disclosed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8563550-B2 Imidazolothiadiazoles for use as protein kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) 2013-10-22 US disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-08-04 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 (2 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-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 FYN 383/4885MKNK1 147/4885VCP 4412/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R FYN 1977/4885MKNK1 860/4885VCP 4470/4885

“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.