Sugi Predict

Sugi Predict / Compounds / SCHEMBL1670652

SCHEMBL1670652

SCHEMBL1670652

CC1=C/C(=N\C(C)C)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 5/20 1.00
▸ CDC25B P30305 7/20 0.55
▸ CDC25A P30304 6/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ MAPK1 P28482 4/20 0.55
▸ LMNA P02545 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ BLM P54132 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ CYP1A2 P05177 3/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ HSPD1 P10809 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HSPE1 P61604 2/20 0.55
▸ TST Q16762 2/20 0.55
▸ PLIN1 O60240 2/20 0.55
▸ MAOA P21397 2/20 0.55

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
SCHEMBL12649399 0.83 IDO1 (1.00) IDO1CDC25BCDC25AMEN1KMT2A
SCHEMBL12599045 0.83 IDO1 (1.00) IDO1CDC25BCDC25AMEN1KMT2A
SCHEMBL2920560 0.79 IDO1 (0.66) IDO1CDC25BCDC25AMEN1KMT2A
SCHEMBL2952582 0.79 IDO1 (0.66) IDO1CDC25BCDC25AMEN1KMT2A
SCHEMBL13659015 0.75 IDO1 (0.81) IDO1CDC25BCDC25AMEN1KMT2A
SCHEMBL12649401 0.74 IDO1 (0.88) IDO1CDC25BCDC25AMEN1KMT2A
SCHEMBL12599094 0.72 IDO1 (0.74) IDO1CDC25BCDC25AMEN1KMT2A
Menadione SCHEMBL1364028 0.71 MAPT (1.00) IDO1CDC25BCDC25AMEN1KMT2A
Menadione SCHEMBL25970 0.71 MAPT (1.00) IDO1CDC25BCDC25AMEN1KMT2A
Menadione SCHEMBL19356853 0.71 MAPT (1.00) IDO1CDC25BCDC25AMEN1KMT2A

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-10660909-B2 Method for treating cancer using chemokine antagonists SYNTRIX BIOSYSTEMS INC. (US) 2020-05-26 — — US disclosed
WO-2019165315-A1 METHOD FOR TREATING CANCER USING CHEMOKINE ANTAGONISTS ALONE OR IN COMBINATION SYNTRIX BIOSYSTEMS INC. (US) 2019-08-29 — — WO disclosed
US-20180177808-A1 METHOD FOR TREATING CANCER USING CHEMOKINE ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-28 — — US disclosed
US-20180177808-A1 METHOD FOR TREATING CANCER USING CHEMOKINE ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-28 — — US disclosed
WO-2011045341-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (US) 2011-04-21 — — WO 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-20180177808-A1 METHOD FOR TREATING CANCER USING CHEMOKINE ANTAGONISTS CXCR1, CXCR2, CXCR5 IDO1 2522/4885CDC25B 632/4885CDC25A 541/4885
US-10660909-B2 Method for treating cancer using chemokine antagonists CXCR1, CXCR2, CXCR5 IDO1 2522/4885CDC25B 632/4885CDC25A 541/4885

“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.