Sugi Predict

Sugi Predict / Compounds / SCHEMBL4133710

SCHEMBL4133710

SCHEMBL4133710

O=C(O)c1cnc(N2CCOCC2)nc1-c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.52
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ABL1 P00519 4/20 0.45
▸ BCR P11274 4/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CASP1 P29466 3/20 0.43
▸ CASP7 P55210 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
Morpholine SCHEMBL6016655 0.94 PTPN11 (0.47) PTPN11POLBALDH1A1KDM4EABL1
SCHEMBL2948308 0.86 PTPN11 (0.52) PTPN11POLBALDH1A1KDM4EABL1
SCHEMBL2954462 0.86 PTPN11 (0.52) PTPN11POLBALDH1A1KDM4EMAPK1
SCHEMBL4118986 0.86 TACR1 (0.47) PTPN11ALDH1A1MAPK1TSHRCYP1A2
SCHEMBL4124274 0.86 ALDH1A1 (0.43) PTPN11ALDH1A1KDM4EMAPK1TSHR
SCHEMBL4126042 0.86 PTPN11 (0.52) PTPN11POLBALDH1A1KDM4EMAPK1
SCHEMBL6016658 0.86 PTPN11 (0.45) PTPN11POLBALDH1A1ABL1BCR
SCHEMBL4133043 0.85 PIK3CA (0.52) PTPN11POLBALDH1A1KDM4EPKM
SCHEMBL6016519 0.84 PTPN11 (0.57) PTPN11POLBALDH1A1KDM4EMAPK1
SCHEMBL4110255 0.83 PIK3CA (0.52) PTPN11POLBALDH1A1KDM4EMAPK1

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 17 patents. 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
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
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 — — EP disclosed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 — — US 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 PTPN11 2144/4885POLB 4202/4885ALDH1A1 2796/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 PTPN11 2294/4885POLB 3962/4885ALDH1A1 3192/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 PTPN11 2294/4885POLB 3962/4885ALDH1A1 3192/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 PTPN11 2144/4885POLB 4202/4885ALDH1A1 2796/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 PTPN11 2294/4885POLB 3962/4885ALDH1A1 3192/4885

“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.