Sugi Predict

Sugi Predict / Compounds / SCHEMBL2606249

SCHEMBL2606249

SCHEMBL2606249

Cc1ccc2c(N3CC[C@@H](NC(=O)OCC(C)C)C3)nc(-c3ccccc3CF)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.39
▸ DRD2 P14416 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ CHEK2 O96017 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KRAS P01116 3/20 0.34
▸ SOS1 Q07889 3/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL184057 0.90 CHEK2 (0.46) PDE10ADRD2HTR1AHTR2ACHEK2
SCHEMBL183869 0.90 CHEK2 (0.46) PDE10ADRD2HTR1AHTR2ACHEK2
SCHEMBL183870 0.90 CHEK2 (0.46) PDE10ADRD2HTR1AHTR2ACHEK2
SCHEMBL2606242 0.89 PDE10A (0.39) PDE10ACHEK2MAPTKDM4ETP53
SCHEMBL183833 0.89 PDE10A (0.39) PDE10ADRD2HTR1AHTR2ACHEK2
SCHEMBL183832 0.89 PDE10A (0.39) PDE10ADRD2HTR1AHTR2ACHEK2
Hydrochloric Acid SCHEMBL4993570 0.89 CHEK2 (0.45) PDE10ADRD2HTR1AHTR2ACHEK2
Hydrochloric Acid SCHEMBL4993576 0.89 CHEK2 (0.45) PDE10ADRD2HTR1AHTR2ACHEK2
Sulfuric Acid SCHEMBL183899 0.87 CHEK2 (0.44) PDE10ADRD2HTR1AHTR2ACHEK2
Sulfuric Acid SCHEMBL183900 0.87 CHEK2 (0.44) PDE10ADRD2HTR1AHTR2ACHEK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158637-B2 Sodium channel moderators; antiarrhythmia agents; analgesics; antiarthritic agents; antiinflammatory agents; antieplipetic agents; psychological disorders; nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-17 — — US disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 — — US disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 — — 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-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 PDE10A 851/4885DRD2 1837/4885HTR1A 741/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 PDE10A 851/4885DRD2 1837/4885HTR1A 741/4885

“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.