SCHEMBL1107952

SCHEMBL1107952

CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nnc(-c5ccc6ccc(-c7nnc(-c8cccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)n8)s7)cc6c5)s4)n3)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GUSB P08236 6/20 0.40
PTPN11 Q06124 1/20 0.38
PIM1 P11309 6/20 0.38
PIM3 Q86V86 6/20 0.38
PIM2 Q9P1W9 6/20 0.38
PDK2 Q15119 2/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B1 P14061 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL1107936 0.95 GUSB (0.41) GUSBPTPN11PIM1PIM3PIM2
SCHEMBL1107948 0.93 PIM1 (0.41) GUSBPIM1PIM3PIM2PDK2
SCHEMBL1107935 0.93 GUSB (0.38) GUSBPIM1PIM3PIM2PDK2
SCHEMBL1107977 0.93 PDK2 (0.39) GUSBPIM1PIM3PIM2PDK2
SCHEMBL1107973 0.88 PDK2 (0.34) GUSBPIM1PIM3PIM2PDK2
SCHEMBL1107911 0.88 GUSB (0.36) GUSBPIM1PIM3PIM2PDK2
SCHEMBL1107969 0.87 PIM1 (0.39) GUSBPIM1PIM3PIM2PDK2
SCHEMBL1107971 0.87 PDK2 (0.35) GUSBPIM1PIM3PIM2PDK2
SCHEMBL1107869 0.87 PIM1 (0.46) PIM1PIM3PIM2ALDH1A1HSD17B1
SCHEMBL1107964 0.84 PDK2 (0.34) GUSBPIM1PIM3PIM2PDK2

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 5 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
EP-2009013-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2008-12-31 EP 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 GUSB 3803/4885PTPN11 3635/4885PIM1 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.