Sugi Predict

Sugi Predict / Compounds / SCHEMBL4125912

SCHEMBL4125912

SCHEMBL4125912

CN1CCN(c2ncc(-c3ccccc3Cl)c(C(=O)O)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ PTPN11 Q06124 1/20 0.51
▸ CYP1A2 P05177 6/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ HRH4 Q9H3N8 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ HTR3A P46098 2/20 0.47
▸ TACR1 P25103 2/20 0.46
▸ ATAD2 Q6PL18 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ KCNK2 O95069 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CASP1 P29466 4/20 0.43

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
SCHEMBL6869424 0.87 TACR1 (0.59) ALDH1A1PTPN11CYP1A2HSD17B10HRH4
SCHEMBL6868793 0.85 HRH4 (0.51) ALDH1A1CYP1A2HSD17B10HRH4CYP2D6
SCHEMBL6862126 0.85 HRH4 (0.49) ALDH1A1PTPN11CYP1A2HSD17B10HRH4
SCHEMBL6872263 0.84 CYP1A2 (0.52) ALDH1A1CYP1A2HSD17B10HRH4CYP3A4
SCHEMBL4112070 0.82 HRH4 (0.49) ALDH1A1PTPN11CYP1A2HSD17B10HRH4
SCHEMBL4129388 0.81 CYP1A2 (0.42) ALDH1A1CYP1A2HSD17B10HRH4CYP3A4
Methylpiperazine SCHEMBL6865856 0.79 HTR3A (0.44) ALDH1A1PTPN11CYP1A2HSD17B10HRH4
SCHEMBL6870956 0.79 MET (0.50) ALDH1A1CYP1A2HSD17B10HRH4CYP3A4
Methylpiperazine SCHEMBL6862208 0.79 HTR7 (0.47) ALDH1A1CYP1A2HSD17B10HRH4CYP3A4
Methylpiperazine SCHEMBL6016601 0.77 HRH4 (0.44) ALDH1A1PTPN11CYP1A2HSD17B10HRH4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 — — US claimed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 — — US claimed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 — — US claimed
CN-1187338-C 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-02-02 — — CN claimed
EP-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 — — EP claimed
US-6756380-B1 NEUROKININ 1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2004-06-29 — — US claimed
CN-1353696-A 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-12 — — CN claimed
EP-1187814-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP claimed
WO-2000073278-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 — — WO claimed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 — — US disclosed
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2018-03-15 — — US disclosed
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 — — US disclosed
US-9186404-B2 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2015-11-17 — — US disclosed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 — — US disclosed
CN-1187338-C 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-02-02 — — CN disclosed
EP-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 — — EP disclosed
US-6756380-B1 NEUROKININ 1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2004-06-29 — — US disclosed
CN-1353696-A 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-12 — — CN disclosed
EP-1187814-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP disclosed
WO-2000073278-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 — — 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 (5 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-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT TACR1, TACR2, NPSR1 ALDH1A1 2796/4885PTPN11 2144/4885CYP1A2 2551/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885PTPN11 2294/4885CYP1A2 2992/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885PTPN11 2294/4885CYP1A2 2992/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 ALDH1A1 2796/4885PTPN11 2144/4885CYP1A2 2551/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885PTPN11 2294/4885CYP1A2 2992/4885

“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.