SCHEMBL1107971

SCHEMBL1107971

CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nnc(-c5ccc(-c6nnc(-c7cccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)n7)s6)s5)s4)n3)cc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 12/20 0.35
GUSB P08236 3/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL1107977 0.94 PDK2 (0.39) PDK2GUSBPIM1PIM3PIM2
SCHEMBL1107935 0.91 GUSB (0.38) PDK2GUSBPIM1PIM3PIM2
SCHEMBL1107936 0.91 GUSB (0.41) PDK2GUSBPIM1PIM3PIM2
SCHEMBL1107948 0.89 PIM1 (0.41) PDK2GUSBPIM1PIM3PIM2
SCHEMBL1107973 0.87 PDK2 (0.34) PDK2GUSBPIM1PIM3PIM2
SCHEMBL1107952 0.87 GUSB (0.40) PDK2GUSBPIM1PIM3PIM2
SCHEMBL1107911 0.87 GUSB (0.36) PDK2GUSBPIM1PIM3PIM2
SCHEMBL1107969 0.86 PIM1 (0.39) PDK2GUSBPIM1PIM3PIM2
SCHEMBL1107955 0.85 PIM1 (0.36) PDK2GUSBPIM1PIM3PIM2
SCHEMBL13999391 0.84 BCL2L1 (0.30) PDK2

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
US-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 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-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, SLCO4C1, SLCO2B1 PDK2 1348/4885GUSB 3803/4885PIM1 1477/4885

“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.