Sugi Predict

Sugi Predict / Compounds / SCHEMBL4130912

SCHEMBL4130912

SCHEMBL4130912

Cc1cc(F)ccc1-c1nc(N2CCN(C)CC2)ncc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.50
▸ TSHR P16473 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 8/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ USP2 O75604 4/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ HIF1A Q16665 4/20 0.41
▸ CASP1 P29466 3/20 0.41
▸ CASP7 P55210 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP2C19 P33261 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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 SCHEMBL6016447 0.94 TACR1 (0.46) TACR1TSHRMAPK1MAPTKMT2A
SCHEMBL6016413 0.89 TACR1 (0.43) TACR1TSHRMAPK1MAPTKMT2A
SCHEMBL4124843 0.88 PIK3CA (0.49) TSHRHSD17B10ALDH1A1CYP1A2HIF1A
SCHEMBL4119980 0.88 ALDH1A1 (0.42) TACR1TSHRMAPK1KMT2AHSD17B10
Piperazine SCHEMBL6016696 0.87 ALDH1A1 (0.41) TACR1TSHRMAPK1KMT2AHSD17B10
SCHEMBL4130476 0.85 TACR1 (0.59) TACR1TSHRMAPK1MAPTKMT2A
SCHEMBL4124295 0.84 TACR1 (0.49) TACR1TSHRMAPK1MAPTKMT2A
Methylpiperazine SCHEMBL6016589 0.84 TACR1 (0.40) TACR1TSHRMAPK1HSD17B10ALDH1A1
SCHEMBL4112958 0.84 ALDH1A1 (0.53) TSHRMAPK1MAPTKMT2AHSD17B10
SCHEMBL4129695 0.82 TSHR (0.51) TACR1TSHRMAPK1MAPTKMT2A

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 TACR1 1/4885TSHR 742/4885MAPK1 1024/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 TACR1 1/4885TSHR 776/4885MAPK1 977/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885TSHR 776/4885MAPK1 977/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 TACR1 1/4885TSHR 742/4885MAPK1 1024/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885TSHR 776/4885MAPK1 977/4885

“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.