Sugi Predict

Sugi Predict / Compounds / SCHEMBL1107968

SCHEMBL1107968

SCHEMBL1107968

c1cc(-c2nnc(-c3ccc4ccc(-c5nnc(-c6cccc(-c7cc8ccccc8c8ccccc78)n6)s5)cc4c3)s2)nc(-c2cc3ccccc3c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 8/20 0.41
▸ PIM3 Q86V86 7/20 0.41
▸ PIM2 Q9P1W9 7/20 0.41
▸ GUSB P08236 3/20 0.36
▸ DCTPP1 Q9H773 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL1107954 0.92 PIM1 (0.41) PIM1PIM3PIM2GUSBHSD17B1
SCHEMBL1107967 0.91 PIM1 (0.43) PIM1PIM3PIM2GUSBHSD17B1
SCHEMBL1107902 0.89 PIM1 (0.39) PIM1PIM3PIM2DCTPP1PTPN11
SCHEMBL1107960 0.89 KDM4E (0.42) PIM1PIM3PIM2DCTPP1PTPN11
SCHEMBL1107946 0.88 PIM1 (0.41) PIM1PIM3PIM2GUSBDCTPP1
SCHEMBL1107889 0.84 PIM1 (0.41) PIM1PIM3PIM2HSD17B1ALDH1A1
SCHEMBL1107940 0.84 PIM1 (0.38) PIM1PIM3PIM2PTPN11HSD17B1
SCHEMBL1107943 0.84 MGAM (0.36) PIM1PIM3PIM2DCTPP1PTPN11
SCHEMBL1107934 0.82 MGAM (0.37) PIM1PIM3PIM2DCTPP1PTPN11
SCHEMBL1107862 0.80 RAB9A (0.50) PIM1PIM3PIM2GUSBDCTPP1

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 PIM1 1477/4885PIM3 1919/4885PIM2 1487/4885

“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.