Sugi Predict

Sugi Predict / Compounds / SCHEMBL1439284

SCHEMBL1439284

SCHEMBL1439284

O=C1N[C@@H](c2ccc(F)c(F)c2)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 4/20 0.37
▸ ABCC8 Q09428 4/20 0.37
▸ KCNJ11 Q14654 4/20 0.37
▸ KCNJ8 Q15842 4/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ TDO2 P48775 2/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 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
SCHEMBL1438948 1.00 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8GRM5
SCHEMBL29662110 1.00 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8GRM5
SCHEMBL1438946 1.00 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8GRM5
SCHEMBL28983076 0.81 TDP1 (0.44) KDM1AMAOB
SCHEMBL1441058 0.81 TDP1 (0.44) KDM1AMAOB
SCHEMBL1366583 0.81 TDP1 (0.44) KDM1AMAOB
SCHEMBL6958770 0.80 HTR2A (0.35) ABCC9ABCC8KCNJ11KCNJ8HTR2A
SCHEMBL28983074 0.79 CYP19A1 (0.47) GRM5
SCHEMBL30370314 0.79 CYP19A1 (0.47) GRM5
SCHEMBL28983072 0.79 CYP19A1 (0.47) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 — — US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 — — US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 — — WO disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 — — US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 — — US disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 — — 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R ABCC9 2738/4885ABCC8 2998/4885KCNJ11 2107/4885
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 ABCC9 1604/4885ABCC8 1674/4885KCNJ11 2839/4885

“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.