Sugi Predict

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SCHEMBL4112958

SCHEMBL4112958

CN1CCN(c2ncc(C(=O)O)c(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.53
▸ HIF1A Q16665 10/20 0.53
▸ CYP1A2 P05177 10/20 0.53
▸ CASP1 P29466 9/20 0.53
▸ CASP7 P55210 9/20 0.53
▸ USP2 O75604 9/20 0.53
▸ CYP3A4 P08684 9/20 0.53
▸ HSD17B10 Q99714 9/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ TSHR P16473 6/20 0.49
▸ MAPK1 P28482 4/20 0.49
▸ SCN9A Q15858 1/20 0.49
▸ CYP2D6 P10635 1/20 0.48
▸ GLA P06280 6/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HRH4 Q9H3N8 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
Methylpiperazine SCHEMBL6016623 0.93 ALDH1A1 (0.48) ALDH1A1HIF1ACYP1A2CASP1CASP7
SCHEMBL6016473 0.89 ALDH1A1 (0.57) ALDH1A1HIF1ACYP1A2CASP1CASP7
SCHEMBL6016337 0.85 CASP1 (0.55) ALDH1A1HIF1ACYP1A2CASP1CASP7
SCHEMBL4112334 0.85 ALDH1A1 (0.54) ALDH1A1HIF1ACYP1A2CASP1CASP7
Piperazine SCHEMBL6016590 0.84 ALDH1A1 (0.53) ALDH1A1HIF1ACYP1A2CASP1CASP7
SCHEMBL4130912 0.84 TACR1 (0.50) ALDH1A1HIF1ACYP1A2CASP1CASP7
SCHEMBL6016413 0.82 TACR1 (0.43) ALDH1A1HIF1ACYP1A2CASP1CASP7
SCHEMBL4129695 0.81 TSHR (0.51) ALDH1A1HIF1ACYP1A2CASP1CASP7
SCHEMBL6872292 0.80 HRH4 (0.49) ALDH1A1HIF1ACYP1A2CASP1CASP7
SCHEMBL6016338 0.80 PTPN11 (0.43) —

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
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 — — EP claimed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 — — US claimed
CN-1166643-C 4-phenyl-pyrimidine derivatives - 2004-09-15 — — CN claimed
CN-1353697-A 4-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-12 — — CN claimed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP claimed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 — — US claimed
WO-2000073279-A1 4-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
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 — — US disclosed
CN-1166643-C 4-phenyl-pyrimidine derivatives - 2004-09-15 — — CN disclosed
CN-1353697-A 4-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-12 — — CN disclosed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 — — US disclosed
WO-2000073279-A1 4-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 2796/4885HIF1A 3566/4885CYP1A2 2551/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885HIF1A 3408/4885CYP1A2 2992/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885HIF1A 3408/4885CYP1A2 2992/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 ALDH1A1 2796/4885HIF1A 3566/4885CYP1A2 2551/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 ALDH1A1 3192/4885HIF1A 3408/4885CYP1A2 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.