Sugi Predict

Sugi Predict / Compounds / SCHEMBL1600707

SCHEMBL1600707

SCHEMBL1600707

NC(=O)C(=O)c1ccc(Nc2ccnc(N3CCOCC3)n2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.49
▸ CDC7 O00311 1/20 0.49
▸ ACHE P22303 3/20 0.48
▸ AURKA O14965 2/20 0.46
▸ MAPK10 P53779 4/20 0.42
▸ MAPK9 P45984 3/20 0.42
▸ PTPN11 Q06124 1/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ MAPK14 Q16539 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ EIF2AK2 P19525 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
SCHEMBL1599320 0.91 MAPK8 (0.53) MAPK8CDC7ACHEAURKAPTPN11
SCHEMBL1600197 0.88 MAPK8 (0.48) MAPK8CDC7ACHEAURKAMAPK10
SCHEMBL1600460 0.81 MAPK14 (0.47) MAPK8CDC7ACHEAURKAMAPK10
SCHEMBL1599366 0.80 MAPK14 (0.48) MAPK8CDC7MAPK14
SCHEMBL1600085 0.80 MAPK10 (0.50) AURKAMAPK10MAPK9
SCHEMBL4949441 0.79 MAPK8 (0.56) MAPK8CDC7ACHEPTPN11CDK2
SCHEMBL1599290 0.79 MAPK14 (0.59) MAPK8MAPK10MAPK9MAPK14ABL1
SCHEMBL1599065 0.78 MAPK14 (0.61) MAPK14
SCHEMBL8536925 0.78 MAPK14 (0.47) MAPK8CDC7ACHEMAPK10MAPK14
SCHEMBL1600014 0.77 MAPK14 (0.64) MAPK14

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
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 — — US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 — — US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 — — US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 — — US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 — — 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 (4 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A MAPK8 912/4885CDC7 2041/4885ACHE 4557/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK8 912/4885CDC7 2041/4885ACHE 4557/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK8 1348/4885CDC7 3647/4885ACHE 2210/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK8 912/4885CDC7 2041/4885ACHE 4557/4885

“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.