Sugi Predict

Sugi Predict / Compounds / SCHEMBL84366

SCHEMBL84366

SCHEMBL84366

CC(=O)NCCNc1nccc(C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.44
▸ CYP3A4 P08684 4/20 0.44
▸ CLK4 Q9HAZ1 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ P2RX3 P56373 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ ACACB O00763 3/20 0.40
▸ PDCD1 Q15116 2/20 0.39
▸ CD274 Q9NZQ7 2/20 0.39
▸ MTNR1A P48039 3/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL83989 0.86 HRH4 (0.36) CYP1A2CYP3A4CLK4HSD17B10ALDH1A1
SCHEMBL84434 0.83 HPGD (0.44) HSD17B10ALDH1A1MAPK1MEN1NPC1
SCHEMBL10225052 0.81 CYP1A2 (0.50) CYP1A2CYP3A4CLK4HSD17B10ALDH1A1
SCHEMBL84065 0.80 MAPK9 (0.48) CLK4ALDH1A1MAPK1HRH4MEN1
SCHEMBL84101 0.79 ACACB (0.50) ACACBMTNR1AMTNR1BHRH4
SCHEMBL23015811 0.79 KDM4E (0.43) CYP1A2MEN1NPC1RAB9AKMT2A
SCHEMBL84398 0.79 ACACB (0.42) ALDH1A1ACACBHRH4
SCHEMBL91325 0.78 CYP1A2 (0.45) CYP1A2CYP3A4CLK4HSD17B10ALDH1A1
SCHEMBL13484501 0.78 NUDT1 (0.45) MAPK1P2RX3P2RX2HRH4NPC1
SCHEMBL12986127 0.77 CXCR4 (0.50) ALDH1A1P2RX3P2RX2HRH4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293769-B2 CSF-1R inhibitors, compositions, and methods of use NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 — — US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US 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 (3 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-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 CYP1A2 3941/4885CYP3A4 4525/4885CLK4 3695/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS CYP1A2 4611/4885CYP3A4 4401/4885CLK4 974/4885
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE CSF1R, CSF3R, FLT3 CYP1A2 2913/4885CYP3A4 3237/4885CLK4 2545/4885

“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.