Sugi Predict

Sugi Predict / Compounds / SCHEMBL4457904

SCHEMBL4457904

SCHEMBL4457904

CC(C)(C)c1cc(-c2cccc(C3CCNCC3)n2)cc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.44
▸ PIM3 Q86V86 3/20 0.44
▸ PIM2 Q9P1W9 3/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTR2C P28335 5/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ MAPK13 O15264 2/20 0.38
▸ MAPK12 P53778 2/20 0.38
▸ MAPK11 Q15759 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36

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
SCHEMBL13959317 0.86 MEN1 (0.53) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL13959332 0.81 PIM1 (0.41) PIM1PIM3PIM2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4451796 0.79 MEN1 (0.46) MEN1KMT2APOLBHTR2CCSNK1A1
SCHEMBL13490451 0.77 MEN1 (0.55) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL13422220 0.77 HPGDS (0.52) MEN1KMT2AHRH4EP300
SCHEMBL23858239 0.76 HTR2C (0.40) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL30011048 0.76 HTR2C (0.40) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL4457426 0.74 HTR3E (0.49) PIM1PIM3PIM2
SCHEMBL3575940 0.74 PLAT (0.42) MEN1KMT2APOLBHRH4EP300
SCHEMBL4456613 0.74 GPR119 (0.48) MEN1KMT2A

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-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 — — US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 — — US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 — — US disclosed
EP-1988900-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-11-12 — — EP disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 — — WO disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 — — 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 (1 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-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 PIM1 2008/4885PIM3 2619/4885PIM2 2940/4885

“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.