Sugi Predict

Sugi Predict / Compounds / SCHEMBL3178372

SCHEMBL3178372

SCHEMBL3178372

NC(=O)CCNc1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 6/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ STK17A Q9UEE5 1/20 0.46
▸ PRKCQ Q04759 8/20 0.43
▸ MAPT P10636 1/20 0.41
▸ SIRT5 Q9NXA8 2/20 0.40
▸ DCLK1 O15075 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MATK P42679 1/20 0.37
▸ FRK P42685 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ GSK3A P49840 1/20 0.37

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
SCHEMBL3158536 0.83 PIN1 (0.55) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL28646251 0.82 L3MBTL1 (0.49) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL1918606 0.81 PIN1 (0.49) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL3291137 0.81 STK17A (0.74) STK17APRKCQMAPTCYP3A4CYP2C9
SCHEMBL7491353 0.80 MAPT (0.64) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL19665590 0.80 PIN1 (0.51) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL19665564 0.79 L3MBTL1 (0.44) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL12876599 0.78 L3MBTL1 (0.71) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL3183383 0.78 PRKCQ (0.53) STK17APRKCQSIRT5DCLK1MAP4K4
SCHEMBL3450121 0.78 STK17B (0.40) L3MBTL1STK17ASIRT5AURKB

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-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-05-06 — — US disclosed
US-7662819-B2 Pteridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD PALO ALTO, INC. (US) 2010-02-16 — — US disclosed
EP-2131844-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV Therapeutics Inc. (US) 2009-12-16 — — EP disclosed
WO-2008123891-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2008-10-16 — — WO disclosed
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS LIGAND PHARMACEUTICALS INCORPORATED 2008-10-09 — — 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 (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-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY PIN1 764/4885L3MBTL1 3475/4885STK17A 237/4885
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY PIN1 764/4885L3MBTL1 3475/4885STK17A 237/4885

“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.